(Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile

C15H16N4O3 — CID 108862238

IUPAC(Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H16N4O3/c16-10-12(15(20)18-8-2-1-3-9-18)11-17-13-4-6-14(7-5-13)19(21)22/h4-7,11,17H,1-3,8-9H2/b12-11-
InChIKeyCPQAYJLQVLRERH-QXMHVHEDSA-N
MW300.32 g/mol
LogP2.43
Rot. Bonds4

About (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile

(Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile (PubChem CID 108862238) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
PubChem CID108862238
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H16N4O3/c16-10-12(15(20)18-8-2-1-3-9-18)11-17-13-4-6-14(7-5-13)19(21)22/h4-7,11,17H,1-3,8-9H2/b12-11-
InChIKeyCPQAYJLQVLRERH-QXMHVHEDSA-N
XLogP2.43
TPSA99.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile 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

4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide
CID 108862208
(Z)-2-(4-benzhydrylpiperazine-1-carbonyl)-3-(4-nitroanilino)prop-2-enenitrile
CID 108832535
(Z)-3-(2-methoxy-5-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862432
(Z)-3-[4-(4-methylpiperazin-1-yl)anilino]-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862349
2-(azepane-1-carbonyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 3664644
N-[4-[[(Z)-3-(4-acetylpiperazin-1-yl)-2-cyano-3-oxoprop-1-enyl]amino]phenyl]acetamide
CID 108840986
4-[[(Z)-3-(4-acetylpiperazin-1-yl)-2-cyano-3-oxoprop-1-enyl]amino]benzenesulfonic acid
CID 108840987
(Z)-2-[4-(2-aminoethyl)piperazine-1-carbonyl]-3-(3-nitroanilino)prop-2-enenitrile
CID 108863818
(Z)-2-(piperidine-1-carbonyl)-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
CID 108862166
1-[4-(azepane-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 166354714
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-[4-(4-methylpiperazin-1-yl)anilino]prop-2-enenitrile
CID 108861976
(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-(4-methoxyanilino)prop-2-enenitrile
CID 108841012

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile (CID 108862238) is (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile is N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1.
What is the InChIKey of (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The InChIKey is CPQAYJLQVLRERH-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-10-12(15(20)18-8-2-1-3-9-18)11-17-13-4-6-14(7-5-13)19(21)22/h4-7,11,17H,1-3,8-9H2/b12-11-.
What are the key properties of (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
(Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile has a molecular weight of 300.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 108862238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).