(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide

C10H20N2O — CID 97050937

IUPAC(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN[C@H]1C
InChIInChI=1S/C10H20N2O/c1-7(2)12-10(13)9-5-4-6-11-8(9)3/h7-9,11H,4-6H2,1-3H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyWABNQQLCSUDNQI-IUCAKERBSA-N
MW184.28 g/mol
LogP0.90
Rot. Bonds2

About (2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide

(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 97050937) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID97050937
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN[C@H]1C
InChIInChI=1S/C10H20N2O/c1-7(2)12-10(13)9-5-4-6-11-8(9)3/h7-9,11H,4-6H2,1-3H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyWABNQQLCSUDNQI-IUCAKERBSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-2-methylpiperidine-3-carboxamide
CID 130757003
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
(2R,3R)-N-(2-hydroxyethyl)-2-methylpiperidine-3-carboxamide
CID 130891391
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
2-methyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 131048074
3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79388459
N-but-2-ynyl-2-methylpiperidine-3-carboxamide
CID 127003919
(2R)-3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79385021
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
ethane;(1R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143679818
2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide
CID 114137522

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide (CID 97050937) is (2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)[C@H]1CCCN[C@H]1C.
What is the InChIKey of (2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is WABNQQLCSUDNQI-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)12-10(13)9-5-4-6-11-8(9)3/h7-9,11H,4-6H2,1-3H3,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide?
(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 184.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 97050937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).