(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide

C12H22N2O — CID 120633867

IUPAC(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCC2CC2)CCN1
InChIInChI=1S/C12H22N2O/c1-9-8-11(5-7-13-9)12(15)14-6-4-10-2-3-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyOHSWPKDFEVVTAY-ONGXEEELSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds4

About (2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120633867) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
PubChem CID120633867
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCC2CC2)CCN1
InChIInChI=1S/C12H22N2O/c1-9-8-11(5-7-13-9)12(15)14-6-4-10-2-3-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyOHSWPKDFEVVTAY-ONGXEEELSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide
CID 120638355
(2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618698
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718
2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid
CID 114006821
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785
(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120622256
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636684
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide (CID 120633867) is (2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCCC2CC2)CCN1.
What is the InChIKey of (2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is OHSWPKDFEVVTAY-ONGXEEELSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-8-11(5-7-13-9)12(15)14-6-4-10-2-3-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120633867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).