N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide

C22H33N3O2 — CID 53057722

IUPACN-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESCc1ccccc1CNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H33N3O2/c1-17-7-5-6-8-19(17)16-23-21(26)15-18-11-13-25(14-12-18)22(27)24-20-9-3-2-4-10-20/h5-8,18,20H,2-4,9-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyJMRKCNRNEBCDMC-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.76
Rot. Bonds5

About N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 53057722) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID53057722
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESCc1ccccc1CNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H33N3O2/c1-17-7-5-6-8-19(17)16-23-21(26)15-18-11-13-25(14-12-18)22(27)24-20-9-3-2-4-10-20/h5-8,18,20H,2-4,9-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyJMRKCNRNEBCDMC-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 95969501
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057684
N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057667
N-cyclohexyl-4-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057680
1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135182
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810952
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
methyl 2,4-dimethyl-5-[4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 50787554
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide (CID 53057722) is N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide is Cc1ccccc1CNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is JMRKCNRNEBCDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17-7-5-6-8-19(17)16-23-21(26)15-18-11-13-25(14-12-18)22(27)24-20-9-3-2-4-10-20/h5-8,18,20H,2-4,9-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 53057722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).