bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride

C103H143Cl2N15O11 — CID 158387751

About bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride

bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride (PubChem CID 158387751) has the molecular formula C103H143Cl2N15O11 and a molecular weight of 1838.28 g/mol. Its IUPAC name is bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride.

Molecular Properties

• Compound Name: bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
• PubChem CID: 158387751
• Molecular Formula: C103H143Cl2N15O11
• Molecular Weight: 1838.28 g/mol
• Exact Mass: 1836.05
• IUPAC Name: bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
• SMILES: CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(Cc4ccc[nH]c4=O)CC3)noc12.CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(Cc4ccc[nH]c4=O)CC3)noc12.CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCNCC3)noc12.COc1ncccc1CN1CCC(CCc2noc3c(CN(C)C)c(OCC4CC4)ccc23)CC1.Cl.Cl
• InChI: InChI=1S/C28H38N4O3.2C27H36N4O3.C21H31N3O2.2ClH/c1-31(2)18-24-26(34-19-21-6-7-21)11-9-23-25(30-35-27(23)24)10-8-20-12-15-32(16-13-20)17-22-5-4-14-29-28(22)33-3;2*1-30(2)17-23-25(33-18-20-5-6-20)10-8-22-24(29-34-26(22)23)9-7-19-11-14-31(15-12-19)16-21-4-3-13-28-27(21)32;1-24(2)13-18-20(25-14-16-3-4-16)8-6-17-19(23-26-21(17)18)7-5-15-9-11-22-12-10-15;;/h4-5,9,11,14,20-21H,6-8,10,12-13,15-19H2,1-3H3;2*3-4,8,10,13,19-20H,5-7,9,11-12,14-18H2,1-2H3,(H,28,32);6,8,15-16,22H,3-5,7,9-14H2,1-2H3;2*1H
• InChIKey: MJVYANYQLFANFI-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 263.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1838.28
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride?

The IUPAC name of bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride (CID 158387751) is bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride.

What is the SMILES notation for bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride?

The canonical SMILES for bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride is CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(Cc4ccc[nH]c4=O)CC3)noc12.CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(Cc4ccc[nH]c4=O)CC3)noc12.CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCNCC3)noc12.COc1ncccc1CN1CCC(CCc2noc3c(CN(C)C)c(OCC4CC4)ccc23)CC1.Cl.Cl.

What is the InChIKey of bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride?

The InChIKey is MJVYANYQLFANFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3.2C27H36N4O3.C21H31N3O2.2ClH/c1-31(2)18-24-26(34-19-21-6-7-21)11-9-23-25(30-35-27(23)24)10-8-20-12-15-32(16-13-20)17-22-5-4-14-29-28(22)33-3;2*1-30(2)17-23-25(33-18-20-5-6-20)10-8-22-24(29-34-26(22)23)9-7-19-11-14-31(15-12-19)16-21-4-3-13-28-27(21)32;1-24(2)13-18-20(25-14-16-3-4-16)8-6-17-19(23-26-21(17)18)7-5-15-9-11-22-12-10-15;;/h4-5,9,11,14,20-21H,6-8,10,12-13,15-19H2,1-3H3;2*3-4,8,10,13,19-20H,5-7,9,11-12,14-18H2,1-2H3,(H,28,32);6,8,15-16,22H,3-5,7,9-14H2,1-2H3;2*1H.

What are the key properties of bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride?

bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride has a molecular weight of 1838.28 g/mol, XLogP of 17.80, 39 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride is sourced from PubChem (CID 158387751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).