4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide

C16H31N3O2 — CID 84601030

IUPAC4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide
SMILESCC(CCNC(=O)N1CCC(CO)CC1)N1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-14(18-9-3-2-4-10-18)5-8-17-16(21)19-11-6-15(13-20)7-12-19/h14-15,20H,2-13H2,1H3,(H,17,21)
InChIKeyBLJZMQLVOVNPCZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds5

About 4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide (PubChem CID 84601030) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide
PubChem CID84601030
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide
SMILESCC(CCNC(=O)N1CCC(CO)CC1)N1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-14(18-9-3-2-4-10-18)5-8-17-16(21)19-11-6-15(13-20)7-12-19/h14-15,20H,2-13H2,1H3,(H,17,21)
InChIKeyBLJZMQLVOVNPCZ-UHFFFAOYSA-N
XLogP1.66
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide
CID 95065264
4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 95065266
4-[2-[[(3S)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95065270
N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444336
4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111428421
4-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 111507660
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
N-(1-cyclohexylethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111507122
N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111722585

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide (CID 84601030) is 4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide is CC(CCNC(=O)N1CCC(CO)CC1)N1CCCCC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide?
The InChIKey is BLJZMQLVOVNPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14(18-9-3-2-4-10-18)5-8-17-16(21)19-11-6-15(13-20)7-12-19/h14-15,20H,2-13H2,1H3,(H,17,21).
What are the key properties of 4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 84601030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).