(2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide

C17H23N3O3 — CID 120639685

IUPAC(2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1
InChIInChI=1S/C17H23N3O3/c1-12-10-13(8-9-18-12)17(21)19(15-6-7-15)11-14-4-2-3-5-16(14)20(22)23/h2-5,12-13,15,18H,6-11H2,1H3/t12-,13-/m0/s1
InChIKeyBJRDWAVLJMDZPL-STQMWFEESA-N
MW317.39 g/mol
LogP2.47
Rot. Bonds5

About (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide

(2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide (PubChem CID 120639685) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide
PubChem CID120639685
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1
InChIInChI=1S/C17H23N3O3/c1-12-10-13(8-9-18-12)17(21)19(15-6-7-15)11-14-4-2-3-5-16(14)20(22)23/h2-5,12-13,15,18H,6-11H2,1H3/t12-,13-/m0/s1
InChIKeyBJRDWAVLJMDZPL-STQMWFEESA-N
XLogP2.47
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.47
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'}

Analyze (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-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

(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120621349
(2S,4S)-N-cyclopropyl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621334
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621348
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878
N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 106739301
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119723179
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 106739346
2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650499
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide (CID 120639685) is (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BJRDWAVLJMDZPL-STQMWFEESA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-10-13(8-9-18-12)17(21)19(15-6-7-15)11-14-4-2-3-5-16(14)20(22)23/h2-5,12-13,15,18H,6-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide?
(2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120639685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).