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

C11H22N2O2 — CID 60781158

IUPACN-butyl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H22N2O2/c1-2-3-6-12-11(15)13-7-4-10(9-14)5-8-13/h10,14H,2-9H2,1H3,(H,12,15)
InChIKeyNYSWZTPEHHZDKX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.20
Rot. Bonds4

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

N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 60781158) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID60781158
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-butyl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H22N2O2/c1-2-3-6-12-11(15)13-7-4-10(9-14)5-8-13/h10,14H,2-9H2,1H3,(H,12,15)
InChIKeyNYSWZTPEHHZDKX-UHFFFAOYSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.20
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-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 56794735
N-ethyl-4-(methoxymethyl)piperidine-1-carboxamide
CID 71782916
1-(2-Hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
CID 71860781
N-[2-(3-Ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 99834195
(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 139513575
(3S,4S)-3-fluoro-N-(2-hydroxyethyl)-4-methylpiperidine-1-carboxamide
CID 156329453
4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75522549
4-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 91650238
4-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830985
4-(hydroxymethyl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830986
4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 103657827
N-(2,2-difluoro-3-hydroxypropyl)-4-methylpiperidine-1-carboxamide
CID 106169008

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide (CID 60781158) is N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide is CCCCNC(=O)N1CCC(CO)CC1.
What is the InChIKey of N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is NYSWZTPEHHZDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-6-12-11(15)13-7-4-10(9-14)5-8-13/h10,14H,2-9H2,1H3,(H,12,15).
What are the key properties of N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide?
N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 60781158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).