(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide

C12H24N2O — CID 29057369

IUPAC(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C12H24N2O/c1-5-11(4)13-12(15)14-7-9(2)6-10(3)8-14/h9-11H,5-8H2,1-4H3,(H,13,15)/t9-,10+,11-/m1/s1
InChIKeyFKAUWSRENDMFMI-OUAUKWLOSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds2

About (3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide

(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 29057369) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID29057369
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C12H24N2O/c1-5-11(4)13-12(15)14-7-9(2)6-10(3)8-14/h9-11H,5-8H2,1-4H3,(H,13,15)/t9-,10+,11-/m1/s1
InChIKeyFKAUWSRENDMFMI-OUAUKWLOSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-butan-2-yl]-4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92731421
1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 167134950
2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729
(3R,5S)-3-hydroxy-5-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 130900909
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 4976371
(3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide
CID 97030100
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-ethylpiperidine-1-carboxamide
CID 102555348
(2S)-2-[[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylsulfanylbutanoate
CID 7096773
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122518
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide (CID 29057369) is (3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide is CC[C@@H](C)NC(=O)N1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of (3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is FKAUWSRENDMFMI-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-11(4)13-12(15)14-7-9(2)6-10(3)8-14/h9-11H,5-8H2,1-4H3,(H,13,15)/t9-,10+,11-/m1/s1.
What are the key properties of (3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide?
(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 29057369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).