(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide

C12H24N2O — CID 81129333

IUPAC(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCN(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H24N2O/c1-10(2)6-8-14(3)12(15)11-5-4-7-13-9-11/h10-11,13H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyJQFCEDOLYGUTCP-NSHDSACASA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds4

About (3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide

(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 81129333) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID81129333
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCN(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H24N2O/c1-10(2)6-8-14(3)12(15)11-5-4-7-13-9-11/h10-11,13H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyJQFCEDOLYGUTCP-NSHDSACASA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 115734509
N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
N-methyl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 81055489
N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
CID 115159936
N,N-bis(2-methylpropyl)piperidine-3-carboxamide
CID 43588735
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 81134967
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299426
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81124814
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119340577

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide (CID 81129333) is (3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide is CC(C)CCN(C)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is JQFCEDOLYGUTCP-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)6-8-14(3)12(15)11-5-4-7-13-9-11/h10-11,13H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide?
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 81129333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).