N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide

C13H26N2O2 — CID 106168956

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

About N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 106168956) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide
PubChem CID106168956
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide
SMILESCCC(C)(CCO)NC(=O)N1CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-13(3,7-10-16)14-12(17)15-8-5-11(2)6-9-15/h11,16H,4-10H2,1-3H3,(H,14,17)
InChIKeyCCJNCFVFMHISFR-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-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide
CID 79159386
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 64700228
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide
CID 106349311
N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide
CID 106290239
1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 106178157
N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103945589
3-methyl-3-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 64700727
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
CID 106176447
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide (CID 106168956) is N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide is CCC(C)(CCO)NC(=O)N1CCC(C)CC1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is CCJNCFVFMHISFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-13(3,7-10-16)14-12(17)15-8-5-11(2)6-9-15/h11,16H,4-10H2,1-3H3,(H,14,17).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide?
N-(1-hydroxy-3-methylpentan-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-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 106168956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).