4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide

C20H30N4O2 — CID 51330583

IUPAC4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
SMILESCC1CCCCC1NC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H30N4O2/c1-16-7-5-6-10-18(16)22-20(26)24-13-11-23(12-14-24)15-19(25)21-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyFGYSMIICLXKEEB-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.53
Rot. Bonds4

About 4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide

4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide (PubChem CID 51330583) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
PubChem CID51330583
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
SMILESCC1CCCCC1NC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H30N4O2/c1-16-7-5-6-10-18(16)22-20(26)24-13-11-23(12-14-24)15-19(25)21-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyFGYSMIICLXKEEB-UHFFFAOYSA-N
XLogP2.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperazine-1-carboxamide
CID 75375800
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8719210
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
N-(2-chlorophenyl)-2-[4-[[(1R,2R)-2-methylcyclohexyl]carbamothioyl]piperazin-1-yl]acetamide
CID 9214799
N-(2-chlorophenyl)-2-[4-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30626941
N-(2-ethylphenyl)-2-[4-[2-[(2-methylcyclohexyl)amino]acetyl]piperazin-1-yl]acetamide
CID 112796606
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
(2S)-2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(cyclopentylcarbamoyl)propanamide
CID 31694438
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8528448
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9443779
N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 46807610

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide (CID 51330583) is 4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide is CC1CCCCC1NC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
The InChIKey is FGYSMIICLXKEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16-7-5-6-10-18(16)22-20(26)24-13-11-23(12-14-24)15-19(25)21-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 51330583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).