acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride

C44H67Cl3N10O8 — CID 157255942

About acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride

acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride (PubChem CID 157255942) has the molecular formula C44H67Cl3N10O8 and a molecular weight of 970.44 g/mol. Its IUPAC name is acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride.

Molecular Properties

• Compound Name: acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride
• PubChem CID: 157255942
• Molecular Formula: C44H67Cl3N10O8
• Molecular Weight: 970.44 g/mol
• Exact Mass: 968.42
• IUPAC Name: acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride
• SMILES: CC(=O)O.CN(C)C(=O)OC[C@H]1CN(C2CCN(c3n[nH]c(N)n3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.CN(C)C(=O)OC[C@H]1CN(C2CCNCC2)[C@@H](Cc2ccc(Cl)cc2)CO1.Cl
• InChI: InChI=1S/C22H32ClN7O3.C20H30ClN3O3.C2H4O2.ClH/c1-28(2)22(31)33-14-19-12-30(18(13-32-19)11-15-3-5-16(23)6-4-15)17-7-9-29(10-8-17)21-25-20(24)26-27-21;1-23(2)20(25)27-14-19-12-24(17-7-9-22-10-8-17)18(13-26-19)11-15-3-5-16(21)6-4-15;1-2(3)4;/h3-6,17-19H,7-14H2,1-2H3,(H3,24,25,26,27);3-6,17-19,22H,7-14H2,1-2H3;1H3,(H,3,4);1H/t2*18-,19+;;/m00../s1
• InChIKey: QVONPOMYCRTJPI-VQXQJUNASA-N
• XLogP: 4.93
• TPSA: 204.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.44
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride?

The IUPAC name of acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride (CID 157255942) is acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride.

What is the SMILES notation for acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride?

The canonical SMILES for acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride is CC(=O)O.CN(C)C(=O)OC[C@H]1CN(C2CCN(c3n[nH]c(N)n3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.CN(C)C(=O)OC[C@H]1CN(C2CCNCC2)[C@@H](Cc2ccc(Cl)cc2)CO1.Cl.

What is the InChIKey of acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride?

The InChIKey is QVONPOMYCRTJPI-VQXQJUNASA-N. The full InChI is InChI=1S/C22H32ClN7O3.C20H30ClN3O3.C2H4O2.ClH/c1-28(2)22(31)33-14-19-12-30(18(13-32-19)11-15-3-5-16(23)6-4-15)17-7-9-29(10-8-17)21-25-20(24)26-27-21;1-23(2)20(25)27-14-19-12-24(17-7-9-22-10-8-17)18(13-26-19)11-15-3-5-16(21)6-4-15;1-2(3)4;/h3-6,17-19H,7-14H2,1-2H3,(H3,24,25,26,27);3-6,17-19,22H,7-14H2,1-2H3;1H3,(H,3,4);1H/t2*18-,19+;;/m00../s1.

What are the key properties of acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride?

acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride has a molecular weight of 970.44 g/mol, XLogP of 4.93, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl N,N-dimethylcarbamate;[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methyl N,N-dimethylcarbamate;hydrochloride is sourced from PubChem (CID 157255942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).