N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide

C21H31N3O2 — CID 119065622

IUPACN-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)NCC3CCCCC3)C(C)C2=O)c1
InChIInChI=1S/C21H31N3O2/c1-16-7-6-10-19(13-16)15-23-11-12-24(17(2)20(23)25)21(26)22-14-18-8-4-3-5-9-18/h6-7,10,13,17-18H,3-5,8-9,11-12,14-15H2,1-2H3,(H,22,26)
InChIKeySTXUHTVMJRXLLC-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.32
Rot. Bonds4

About N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide

N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide (PubChem CID 119065622) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
PubChem CID119065622
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)NCC3CCCCC3)C(C)C2=O)c1
InChIInChI=1S/C21H31N3O2/c1-16-7-6-10-19(13-16)15-23-11-12-24(17(2)20(23)25)21(26)22-14-18-8-4-3-5-9-18/h6-7,10,13,17-18H,3-5,8-9,11-12,14-15H2,1-2H3,(H,22,26)
InChIKeySTXUHTVMJRXLLC-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxo-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 126428979
(2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 125174412
3-methyl-1-[(3-methylphenyl)methyl]-4-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]piperazin-2-one
CID 46998864
N-cyclopentyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3575531
4-[1-(2-aminoethyl)triazole-4-carbonyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one;hydrochloride
CID 154891465
2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 87049900
4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 50971487
tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
CID 70242311
2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide
CID 122556170
(6R)-6-amino-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one
CID 10658150
5-[[(2S)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124753780
1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61204446

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide (CID 119065622) is N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide is Cc1cccc(CN2CCN(C(=O)NCC3CCCCC3)C(C)C2=O)c1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is STXUHTVMJRXLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16-7-6-10-19(13-16)15-23-11-12-24(17(2)20(23)25)21(26)22-14-18-8-4-3-5-9-18/h6-7,10,13,17-18H,3-5,8-9,11-12,14-15H2,1-2H3,(H,22,26).
What are the key properties of N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 119065622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).