N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide

C27H39ClN6O3 — CID 67299637

About N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide

N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 67299637) has the molecular formula C27H39ClN6O3 and a molecular weight of 531.10 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide
• PubChem CID: 67299637
• Molecular Formula: C27H39ClN6O3
• Molecular Weight: 531.10 g/mol
• Exact Mass: 530.28
• IUPAC Name: N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide
• SMILES: CC(C)C(NC(=O)C1CCCC(c2nnnn2C)C1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1
• InChI: InChI=1S/C27H39ClN6O3/c1-17(2)22(29-24(35)19-8-6-7-18(15-19)23-30-31-32-33(23)5)25(36)34-14-13-27(37,26(3,4)16-34)20-9-11-21(28)12-10-20/h9-12,17-19,22,37H,6-8,13-16H2,1-5H3,(H,29,35)
• InChIKey: HIDSBMUGZSDZKS-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 113.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.10
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide?

The IUPAC name of N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide (CID 67299637) is N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide.

What is the SMILES notation for N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide?

The canonical SMILES for N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide is CC(C)C(NC(=O)C1CCCC(c2nnnn2C)C1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1.

What is the InChIKey of N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide?

The InChIKey is HIDSBMUGZSDZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39ClN6O3/c1-17(2)22(29-24(35)19-8-6-7-18(15-19)23-30-31-32-33(23)5)25(36)34-14-13-27(37,26(3,4)16-34)20-9-11-21(28)12-10-20/h9-12,17-19,22,37H,6-8,13-16H2,1-5H3,(H,29,35).

What are the key properties of N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide?

N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 531.10 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67299637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).