1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide

C17H32N2O2 — CID 75534797

IUPAC1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC2(O)CCC(C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-3-10-18-16(20)15-6-11-19(12-7-15)13-17(21)8-4-14(2)5-9-17/h14-15,21H,3-13H2,1-2H3,(H,18,20)
InChIKeyMPCDEGVQLFLXKY-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.17
Rot. Bonds5

About 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide

1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide (PubChem CID 75534797) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide
PubChem CID75534797
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC2(O)CCC(C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-3-10-18-16(20)15-6-11-19(12-7-15)13-17(21)8-4-14(2)5-9-17/h14-15,21H,3-13H2,1-2H3,(H,18,20)
InChIKeyMPCDEGVQLFLXKY-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide (CID 75534797) is 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(CC2(O)CCC(C)CC2)CC1.
What is the InChIKey of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is MPCDEGVQLFLXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-10-18-16(20)15-6-11-19(12-7-15)13-17(21)8-4-14(2)5-9-17/h14-15,21H,3-13H2,1-2H3,(H,18,20).
What are the key properties of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide?
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 75534797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).