(3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide

C14H18ClN3O3 — CID 27493583

IUPAC(3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H18ClN3O3/c1-9-5-10(2)8-17(7-9)14(19)16-11-3-4-12(15)13(6-11)18(20)21/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,19)/t9-,10-/m1/s1
InChIKeyRTEBSOYOPFEXJX-NXEZZACHSA-N
MW311.77 g/mol
LogP3.76
Rot. Bonds2

About (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide

(3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 27493583) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide
PubChem CID27493583
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name(3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H18ClN3O3/c1-9-5-10(2)8-17(7-9)14(19)16-11-3-4-12(15)13(6-11)18(20)21/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,19)/t9-,10-/m1/s1
InChIKeyRTEBSOYOPFEXJX-NXEZZACHSA-N
XLogP3.76
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
5-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122101780
N-(4-chloro-3-nitrophenyl)-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 71857133
N-(4-chloro-3-nitrophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 3128753
(2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 27516763
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
N-(4-chloro-3-nitrophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 7438996
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
(2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide
CID 75509755
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide (CID 27493583) is (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide is C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1.
What is the InChIKey of (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is RTEBSOYOPFEXJX-NXEZZACHSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-9-5-10(2)8-17(7-9)14(19)16-11-3-4-12(15)13(6-11)18(20)21/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,19)/t9-,10-/m1/s1.
What are the key properties of (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide?
(3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 27493583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).