(2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide

C23H34N2O2 — CID 100850192

IUPAC(2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H34N2O2/c1-16-8-7-11-21(17(16)2)24-23(27)18(3)25-14-12-20(13-15-25)22(26)19-9-5-4-6-10-19/h4-6,9-10,16-18,20-21H,7-8,11-15H2,1-3H3,(H,24,27)/t16-,17+,18-,21+/m1/s1
InChIKeyNJUFYTNHPFJELG-IIMDRIAPSA-N
MW370.54 g/mol
LogP3.91
Rot. Bonds5

About (2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide

(2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide (PubChem CID 100850192) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
PubChem CID100850192
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name(2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H34N2O2/c1-16-8-7-11-21(17(16)2)24-23(27)18(3)25-14-12-20(13-15-25)22(26)19-9-5-4-6-10-19/h4-6,9-10,16-18,20-21H,7-8,11-15H2,1-3H3,(H,24,27)/t16-,17+,18-,21+/m1/s1
InChIKeyNJUFYTNHPFJELG-IIMDRIAPSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide
CID 42935438
2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
CID 18144798
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 11927997
N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628459
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 124804974
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 11928091
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 11928083
2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 51322952
2-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 115923821
methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741766
(2R)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11932124

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide (CID 100850192) is (2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H](C)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide?
The InChIKey is NJUFYTNHPFJELG-IIMDRIAPSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-16-8-7-11-21(17(16)2)24-23(27)18(3)25-14-12-20(13-15-25)22(26)19-9-5-4-6-10-19/h4-6,9-10,16-18,20-21H,7-8,11-15H2,1-3H3,(H,24,27)/t16-,17+,18-,21+/m1/s1.
What are the key properties of (2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide?
(2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide has a molecular weight of 370.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide is sourced from PubChem (CID 100850192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).