N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

C20H25ClN2O2 — CID 51187239

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)C1CC1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H25ClN2O2/c21-17-7-5-14(6-8-17)18(13-1-2-13)22-19(24)15-9-11-23(12-10-15)20(25)16-3-4-16/h5-8,13,15-16,18H,1-4,9-12H2,(H,22,24)
InChIKeyPIGQAEKPQANUGA-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.56
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 51187239) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID51187239
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)C1CC1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H25ClN2O2/c21-17-7-5-14(6-8-17)18(13-1-2-13)22-19(24)15-9-11-23(12-10-15)20(25)16-3-4-16/h5-8,13,15-16,18H,1-4,9-12H2,(H,22,24)
InChIKeyPIGQAEKPQANUGA-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51254315
N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
CID 119271202
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
1-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000934
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 45353380
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55478446
4-N-[cyclopropyl(phenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 47028583
tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 24625912
1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 134057444
4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86802695

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (CID 51187239) is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is O=C(NC(c1ccc(Cl)cc1)C1CC1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is PIGQAEKPQANUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c21-17-7-5-14(6-8-17)18(13-1-2-13)22-19(24)15-9-11-23(12-10-15)20(25)16-3-4-16/h5-8,13,15-16,18H,1-4,9-12H2,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 51187239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).