(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide

C16H22Cl2N2O — CID 93492122

IUPAC(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H22Cl2N2O/c1-2-7-19-16(21)13-4-3-8-20(11-13)10-12-5-6-14(17)9-15(12)18/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeySPRZNANNYXTDBM-ZDUSSCGKSA-N
MW329.27 g/mol
LogP3.73
Rot. Bonds5

About (3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide

(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide (PubChem CID 93492122) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is (3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
PubChem CID93492122
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H22Cl2N2O/c1-2-7-19-16(21)13-4-3-8-20(11-13)10-12-5-6-14(17)9-15(12)18/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeySPRZNANNYXTDBM-ZDUSSCGKSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238
(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 38103114
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067
1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921064
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972
1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43919301
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide (CID 93492122) is (3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is SPRZNANNYXTDBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-2-7-19-16(21)13-4-3-8-20(11-13)10-12-5-6-14(17)9-15(12)18/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide?
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 93492122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).