N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide

C17H32N2O2 — CID 111105647

IUPACN-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-2-3-11-18-16(20)15-7-12-19(13-8-15)14-17(21)9-5-4-6-10-17/h15,21H,2-14H2,1H3,(H,18,20)
InChIKeyULRPVLLOZXNANH-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.31
Rot. Bonds6

About N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide

N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide (PubChem CID 111105647) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
PubChem CID111105647
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-2-3-11-18-16(20)15-7-12-19(13-8-15)14-17(21)9-5-4-6-10-17/h15,21H,2-14H2,1H3,(H,18,20)
InChIKeyULRPVLLOZXNANH-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide (CID 111105647) is N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide?
The InChIKey is ULRPVLLOZXNANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-3-11-18-16(20)15-7-12-19(13-8-15)14-17(21)9-5-4-6-10-17/h15,21H,2-14H2,1H3,(H,18,20).
What are the key properties of N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide?
N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 111105647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).