4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide

C20H29N3O2 — CID 84528878

IUPAC4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-7-5-6-10-18(16)15-21-20(25)23-13-11-22(12-14-23)19(24)17-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9,11-15H2,1H3,(H,21,25)
InChIKeySNARXIRPMAPCLI-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.93
Rot. Bonds3

About 4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide

4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 84528878) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID84528878
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-7-5-6-10-18(16)15-21-20(25)23-13-11-22(12-14-23)19(24)17-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9,11-15H2,1H3,(H,21,25)
InChIKeySNARXIRPMAPCLI-UHFFFAOYSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 86851308
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
CID 119074138
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 110822175
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110364805
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 110797863
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
CID 113075979
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide (CID 84528878) is 4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccccc1CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is SNARXIRPMAPCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-7-5-6-10-18(16)15-21-20(25)23-13-11-22(12-14-23)19(24)17-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9,11-15H2,1H3,(H,21,25).
What are the key properties of 4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 84528878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).