4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide

C17H26N2O2 — CID 118398509

IUPAC4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
SMILESO=C(NCCCCc1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C17H26N2O2/c20-14-16-9-12-19(13-10-16)17(21)18-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,16,20H,4-5,8-14H2,(H,18,21)
InChIKeyYEPGVQYVYKFIJA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds6

About 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide (PubChem CID 118398509) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
PubChem CID118398509
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
SMILESO=C(NCCCCc1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C17H26N2O2/c20-14-16-9-12-19(13-10-16)17(21)18-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,16,20H,4-5,8-14H2,(H,18,21)
InChIKeyYEPGVQYVYKFIJA-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111176017
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90493869
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110013386
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2-phenylethylsulfanyl)ethanone
CID 60956543

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide (CID 118398509) is 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide is O=C(NCCCCc1ccccc1)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide?
The InChIKey is YEPGVQYVYKFIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-14-16-9-12-19(13-10-16)17(21)18-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,16,20H,4-5,8-14H2,(H,18,21).
What are the key properties of 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 118398509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).