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

C22H33N3O3 — CID 53057667

IUPACN-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C22H33N3O3/c1-28-20-9-7-18(8-10-20)16-23-21(26)15-17-11-13-25(14-12-17)22(27)24-19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyQHZVSZXVHYGPLG-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.46
Rot. Bonds6

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

N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 53057667) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID53057667
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C22H33N3O3/c1-28-20-9-7-18(8-10-20)16-23-21(26)15-17-11-13-25(14-12-17)22(27)24-19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyQHZVSZXVHYGPLG-UHFFFAOYSA-N
XLogP3.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057684
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057722
N-cyclohexyl-4-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057680
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9265502
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 91917759
N-cyclohexyl-4-hydroxy-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 645525
3-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947043
N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide
CID 141123264
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide (CID 53057667) is N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is QHZVSZXVHYGPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-28-20-9-7-18(8-10-20)16-23-21(26)15-17-11-13-25(14-12-17)22(27)24-19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 53057667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).