N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide

C21H29ClN4O3 — CID 166835164

IUPACN-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)NCC2CCC(NC(=O)NCc3ccc(Cl)cc3)CC2)CCN1
InChIInChI=1S/C21H29ClN4O3/c22-17-5-1-14(2-6-17)13-25-21(29)26-18-7-3-15(4-8-18)12-24-20(28)16-9-10-23-19(27)11-16/h1-2,5-6,15-16,18H,3-4,7-13H2,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyXWWUUKBHBWJQQM-UHFFFAOYSA-N
MW420.94 g/mol
LogP2.34
Rot. Bonds6

About N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide

N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide (PubChem CID 166835164) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide
PubChem CID166835164
Molecular FormulaC21H29ClN4O3
Molecular Weight420.94 g/mol
Exact Mass420.19
IUPAC NameN-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)NCC2CCC(NC(=O)NCc3ccc(Cl)cc3)CC2)CCN1
InChIInChI=1S/C21H29ClN4O3/c22-17-5-1-14(2-6-17)13-25-21(29)26-18-7-3-15(4-8-18)12-24-20(28)16-9-10-23-19(27)11-16/h1-2,5-6,15-16,18H,3-4,7-13H2,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyXWWUUKBHBWJQQM-UHFFFAOYSA-N
XLogP2.34
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
1-[(4-chlorophenyl)methyl]-3-[4-[(6-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834993
1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea
CID 166834962
1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
CID 117235602
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
1-[(4-chlorophenyl)methyl]-3-[4-[(2-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834992
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
CID 55104129
1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
CID 95983968
1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea
CID 163984346
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 166834895
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide (CID 166835164) is N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide is O=C1CC(C(=O)NCC2CCC(NC(=O)NCc3ccc(Cl)cc3)CC2)CCN1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide?
The InChIKey is XWWUUKBHBWJQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O3/c22-17-5-1-14(2-6-17)13-25-21(29)26-18-7-3-15(4-8-18)12-24-20(28)16-9-10-23-19(27)11-16/h1-2,5-6,15-16,18H,3-4,7-13H2,(H,23,27)(H,24,28)(H2,25,26,29).
What are the key properties of N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide?
N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 2.34, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 166835164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).