N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride

C16H22Cl2N2O — CID 119271202

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccc(Cl)cc1)C1CC1)C1CCNCC1
InChIInChI=1S/C16H21ClN2O.ClH/c17-14-5-3-12(4-6-14)15(11-1-2-11)19-16(20)13-7-9-18-10-8-13;/h3-6,11,13,15,18H,1-2,7-10H2,(H,19,20);1H
InChIKeyGGOJIOZSNBXFSW-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.33
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride

N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119271202) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119271202
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccc(Cl)cc1)C1CC1)C1CCNCC1
InChIInChI=1S/C16H21ClN2O.ClH/c17-14-5-3-12(4-6-14)15(11-1-2-11)19-16(20)13-7-9-18-10-8-13;/h3-6,11,13,15,18H,1-2,7-10H2,(H,19,20);1H
InChIKeyGGOJIOZSNBXFSW-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 51187239
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51254315
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 45353380
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119689368
N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041230
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
CID 95342739

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride (CID 119271202) is N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(NC(c1ccc(Cl)cc1)C1CC1)C1CCNCC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is GGOJIOZSNBXFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O.ClH/c17-14-5-3-12(4-6-14)15(11-1-2-11)19-16(20)13-7-9-18-10-8-13;/h3-6,11,13,15,18H,1-2,7-10H2,(H,19,20);1H.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride?
N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 329.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119271202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).