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

C19H19Cl2N3O3 — CID 93491876

IUPAC(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H19Cl2N3O3/c20-15-7-6-13(18(21)9-15)11-23-8-2-3-14(12-23)19(25)22-16-4-1-5-17(10-16)24(26)27/h1,4-7,9-10,14H,2-3,8,11-12H2,(H,22,25)/t14-/m0/s1
InChIKeyUGKBYCWBLQZYGA-AWEZNQCLSA-N
MW408.29 g/mol
LogP4.75
Rot. Bonds5

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

(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide (PubChem CID 93491876) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide
PubChem CID93491876
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC Name(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H19Cl2N3O3/c20-15-7-6-13(18(21)9-15)11-23-8-2-3-14(12-23)19(25)22-16-4-1-5-17(10-16)24(26)27/h1,4-7,9-10,14H,2-3,8,11-12H2,(H,22,25)/t14-/m0/s1
InChIKeyUGKBYCWBLQZYGA-AWEZNQCLSA-N
XLogP4.75
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924876
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43919181
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972
1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
(3S)-N-(3-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491505
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
methyl 2-chloro-5-[[1-[(2,4-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43925089
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 93490651
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide (CID 93491876) is (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is UGKBYCWBLQZYGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c20-15-7-6-13(18(21)9-15)11-23-8-2-3-14(12-23)19(25)22-16-4-1-5-17(10-16)24(26)27/h1,4-7,9-10,14H,2-3,8,11-12H2,(H,22,25)/t14-/m0/s1.
What are the key properties of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide?
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide has a molecular weight of 408.29 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93491876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).