5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C22H30N4O2 — CID 110082956

About 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 110082956) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
• PubChem CID: 110082956
• Molecular Formula: C22H30N4O2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.24
• IUPAC Name: 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
• SMILES: COc1cc2c(cc1CN1CCCC(c3[nH]ncc3C(=O)N(C)C)C1)CCC2
• InChI: InChI=1S/C22H30N4O2/c1-25(2)22(27)19-12-23-24-21(19)17-8-5-9-26(13-17)14-18-10-15-6-4-7-16(15)11-20(18)28-3/h10-12,17H,4-9,13-14H2,1-3H3,(H,23,24)
• InChIKey: GHYKYRUFJOMNJK-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 61.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 110082956) is 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is COc1cc2c(cc1CN1CCCC(c3[nH]ncc3C(=O)N(C)C)C1)CCC2.

What is the InChIKey of 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?

The InChIKey is GHYKYRUFJOMNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25(2)22(27)19-12-23-24-21(19)17-8-5-9-26(13-17)14-18-10-15-6-4-7-16(15)11-20(18)28-3/h10-12,17H,4-9,13-14H2,1-3H3,(H,23,24).

What are the key properties of 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?

5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110082956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).