N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide

C13H26N2O2 — CID 79159386

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCCC(CC)(CO)NC(=O)N1CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-13(5-2,10-16)14-12(17)15-8-6-11(3)7-9-15/h11,16H,4-10H2,1-3H3,(H,14,17)
InChIKeyUZQWIFMNLBPPEE-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.98
Rot. Bonds4

About N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 79159386) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide
PubChem CID79159386
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCCC(CC)(CO)NC(=O)N1CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-13(5-2,10-16)14-12(17)15-8-6-11(3)7-9-15/h11,16H,4-10H2,1-3H3,(H,14,17)
InChIKeyUZQWIFMNLBPPEE-UHFFFAOYSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide
CID 106168956
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-4-carboxamide
CID 103749296
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 64700228
1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 104629931
3-methyl-3-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 64700727
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
N-(2-ethylcyclopropyl)-4-methylpiperidine-1-carboxamide
CID 103878354
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
N-[2-(hydroxymethyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
CID 106360522
4-methyl-N-(4-propylcyclohexyl)piperidine-1-carboxamide
CID 115590990

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide (CID 79159386) is N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide is CCC(CC)(CO)NC(=O)N1CCC(C)CC1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is UZQWIFMNLBPPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-13(5-2,10-16)14-12(17)15-8-6-11(3)7-9-15/h11,16H,4-10H2,1-3H3,(H,14,17).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).