(3S)-N-methyl-N-pentylpiperidine-3-carboxamide

C12H24N2O — CID 81123765

IUPAC(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
SMILESCCCCCN(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H24N2O/c1-3-4-5-9-14(2)12(15)11-7-6-8-13-10-11/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyNDNHMVZTDJRIDW-NSHDSACASA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds5

About (3S)-N-methyl-N-pentylpiperidine-3-carboxamide

(3S)-N-methyl-N-pentylpiperidine-3-carboxamide (PubChem CID 81123765) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S)-N-methyl-N-pentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
PubChem CID81123765
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
SMILESCCCCCN(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H24N2O/c1-3-4-5-9-14(2)12(15)11-7-6-8-13-10-11/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyNDNHMVZTDJRIDW-NSHDSACASA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 81134967
N,N-dibutylpiperidine-3-carboxamide;hydrochloride
CID 119262431
N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
CID 115159936
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307
N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride
CID 119306124
N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 115734509
N,N-dipentylpyrrolidine-3-carboxamide
CID 63005585
N,6-dimethyl-N-pentylpiperidine-3-carboxamide
CID 43295220
N-methyl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 81055489
N-methyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 54868907

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-pentylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-pentylpiperidine-3-carboxamide (CID 81123765) is (3S)-N-methyl-N-pentylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-pentylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-pentylpiperidine-3-carboxamide is CCCCCN(C)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-methyl-N-pentylpiperidine-3-carboxamide?
The InChIKey is NDNHMVZTDJRIDW-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-5-9-14(2)12(15)11-7-6-8-13-10-11/h11,13H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-N-methyl-N-pentylpiperidine-3-carboxamide?
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-pentylpiperidine-3-carboxamide is sourced from PubChem (CID 81123765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).