4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide

C12H24N2O2 — CID 110894057

IUPAC4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-7-13-12(16)14-8-5-11(10-15)6-9-14/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyWDZVZZPFLVDAGR-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.59
Rot. Bonds5

About 4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide

4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide (PubChem CID 110894057) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
PubChem CID110894057
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-7-13-12(16)14-8-5-11(10-15)6-9-14/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyWDZVZZPFLVDAGR-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444336
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
N-butylaziridine-1-carboxamide
CID 55206947
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide (CID 110894057) is 4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide is CCCCCNC(=O)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide?
The InChIKey is WDZVZZPFLVDAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-7-13-12(16)14-8-5-11(10-15)6-9-14/h11,15H,2-10H2,1H3,(H,13,16).
What are the key properties of 4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide?
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide is sourced from PubChem (CID 110894057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).