N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide

C17H23ClN2O — CID 107067678

IUPACN-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H23ClN2O/c1-12-3-2-10-19-16(12)17(21)20(15-8-9-15)11-13-4-6-14(18)7-5-13/h4-7,12,15-16,19H,2-3,8-11H2,1H3
InChIKeyGNUUKUUDYBBMST-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.22
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide (PubChem CID 107067678) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
PubChem CID107067678
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H23ClN2O/c1-12-3-2-10-19-16(12)17(21)20(15-8-9-15)11-13-4-6-14(18)7-5-13/h4-7,12,15-16,19H,2-3,8-11H2,1H3
InChIKeyGNUUKUUDYBBMST-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309
N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067691
N,N-dibenzyl-3-methylpiperidine-2-carboxamide
CID 130158118
N-cyclopropyl-N-ethyl-3-methylpiperidine-2-carboxamide
CID 107067196
N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067660
N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 107067692
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylpiperidine-2-carboxamide
CID 55060417
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide
CID 62676328
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
tert-butyl (2S)-2-[(4-chlorophenyl)methyl-cyclopropylcarbamoyl]piperidine-1-carboxylate
CID 97173138
(2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 68863876
4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
CID 79211120

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide (CID 107067678) is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide?
The InChIKey is GNUUKUUDYBBMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-12-3-2-10-19-16(12)17(21)20(15-8-9-15)11-13-4-6-14(18)7-5-13/h4-7,12,15-16,19H,2-3,8-11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide has a molecular weight of 306.84 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).