5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide

C14H18N4O3 — CID 151253767

IUPAC5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide
SMILESNC(=O)c1cc(N2CCN(C3CC3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N4O3/c15-14(19)12-9-11(3-4-13(12)18(20)21)17-7-5-16(6-8-17)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H2,15,19)
InChIKeyNSWQTWGKGIDCPV-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.98
Rot. Bonds4

About 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide

5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide (PubChem CID 151253767) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide
PubChem CID151253767
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide
SMILESNC(=O)c1cc(N2CCN(C3CC3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N4O3/c15-14(19)12-9-11(3-4-13(12)18(20)21)17-7-5-16(6-8-17)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H2,15,19)
InChIKeyNSWQTWGKGIDCPV-UHFFFAOYSA-N
XLogP0.98
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide 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

1-[5-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]ethanone
CID 104613562
1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate
CID 7062297
2-nitro-5-thiomorpholin-4-ylbenzamide
CID 150818863
2-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)benzoic acid
CID 66736354
4-[4-[4-nitro-3-(pyrrolidine-1-carbonyl)phenyl]piperazin-1-yl]benzamide
CID 133307626
1-[5-(4-hydroxy-4-methylpiperidin-1-yl)-2-nitrophenyl]ethanone
CID 104613685
5-(3-carbamoylpiperidin-1-yl)-2-nitrobenzoic acid
CID 43176699
(5-chloro-2-nitrophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052709
5-[(2R)-2,4-dimethylpiperazin-1-yl]-2-nitrobenzamide
CID 152723286
1-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-nitrophenyl]ethanone
CID 104613497
1-(3-acetyl-4-nitrophenyl)piperidine-3-carboxamide
CID 104613470
5-(4-hydroxy-4-methylazepan-1-yl)-2-nitrobenzoic acid
CID 107404900

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide?
The IUPAC name of 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide (CID 151253767) is 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide?
The canonical SMILES for 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide is NC(=O)c1cc(N2CCN(C3CC3)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide?
The InChIKey is NSWQTWGKGIDCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-14(19)12-9-11(3-4-13(12)18(20)21)17-7-5-16(6-8-17)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H2,15,19).
What are the key properties of 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide?
5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide has a molecular weight of 290.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide is sourced from PubChem (CID 151253767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).