N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide

C21H30ClN3O2 — CID 18121101

IUPACN-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H30ClN3O2/c22-18-8-6-16(7-9-18)15-25-12-10-19(11-13-25)24-20(26)14-23-21(27)17-4-2-1-3-5-17/h6-9,17,19H,1-5,10-15H2,(H,23,27)(H,24,26)
InChIKeyFHEIJGWDMOFZNF-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.12
Rot. Bonds6

About N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 18121101) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID18121101
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC NameN-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H30ClN3O2/c22-18-8-6-16(7-9-18)15-25-12-10-19(11-13-25)24-20(26)14-23-21(27)17-4-2-1-3-5-17/h6-9,17,19H,1-5,10-15H2,(H,23,27)(H,24,26)
InChIKeyFHEIJGWDMOFZNF-UHFFFAOYSA-N
XLogP3.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 78904741
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 8590133
1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide
CID 45015794
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47990926
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24665941
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55428317
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 18121101) is N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is FHEIJGWDMOFZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c22-18-8-6-16(7-9-18)15-25-12-10-19(11-13-25)24-20(26)14-23-21(27)17-4-2-1-3-5-17/h6-9,17,19H,1-5,10-15H2,(H,23,27)(H,24,26).
What are the key properties of N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 391.94 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18121101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).