N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide

C13H26N2O2 — CID 106290239

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

About N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide

N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide (PubChem CID 106290239) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide
PubChem CID106290239
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide
SMILESCCCC(C)(O)CNC(=O)N1CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-7-13(3,17)10-14-12(16)15-8-5-11(2)6-9-15/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyMWTKVBWZAZKZNZ-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

4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
N-(4-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-carboxamide
CID 111507377
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
CID 79163549
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpiperidine-1-carboxamide
CID 79160357
4-methyl-N-[(1-propylcyclopropyl)methyl]piperidine-1-carboxamide
CID 113257177
4-methyl-N-(2-methylbutyl)piperidine-1-carboxamide
CID 116655598
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 115583845
N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide
CID 106168956
3-methyl-N-(2,2,4-trimethyl-4-sulfanylpentyl)pyrrolidine-1-carboxamide
CID 155742876
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide (CID 106290239) is N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide is CCCC(C)(O)CNC(=O)N1CCC(C)CC1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is MWTKVBWZAZKZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-7-13(3,17)10-14-12(16)15-8-5-11(2)6-9-15/h11,17H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide?
N-(2-hydroxy-2-methylpentyl)-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-(2-hydroxy-2-methylpentyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 106290239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).