N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide

C23H34N4O3 — CID 27107463

IUPACN-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H34N4O3/c1-17-7-5-6-10-20(17)25-23(30)26-21(28)16-27-13-11-19(12-14-27)22(29)24-15-18-8-3-2-4-9-18/h2-4,8-9,17,19-20H,5-7,10-16H2,1H3,(H,24,29)(H2,25,26,28,30)/t17-,20+/m0/s1
InChIKeyIYOCMDOYKLQATE-FXAWDEMLSA-N
MW414.55 g/mol
LogP2.42
Rot. Bonds6

About N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide

N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 27107463) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID27107463
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H34N4O3/c1-17-7-5-6-10-20(17)25-23(30)26-21(28)16-27-13-11-19(12-14-27)22(29)24-15-18-8-3-2-4-9-18/h2-4,8-9,17,19-20H,5-7,10-16H2,1H3,(H,24,29)(H2,25,26,28,30)/t17-,20+/m0/s1
InChIKeyIYOCMDOYKLQATE-FXAWDEMLSA-N
XLogP2.42
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
N-(2-chlorophenyl)-2-[4-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30626941
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 46807610
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 120761771
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37177808
N-benzylcyclopentanecarboxamide
CID 835634

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 27107463) is N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide is C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is IYOCMDOYKLQATE-FXAWDEMLSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-17-7-5-6-10-20(17)25-23(30)26-21(28)16-27-13-11-19(12-14-27)22(29)24-15-18-8-3-2-4-9-18/h2-4,8-9,17,19-20H,5-7,10-16H2,1H3,(H,24,29)(H2,25,26,28,30)/t17-,20+/m0/s1.
What are the key properties of N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide?
N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 27107463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).