1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide

C17H24N4O3 — CID 172592234

IUPAC1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1
InChIInChI=1S/C17H24N4O3/c18-17(22)13-5-9-19(10-6-13)15-7-11-20(12-8-15)14-1-3-16(4-2-14)21(23)24/h1-4,13,15H,5-12H2,(H2,18,22)
InChIKeyBGILBTKNSSQGFC-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.76
Rot. Bonds4

About 1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide

1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 172592234) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID172592234
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1
InChIInChI=1S/C17H24N4O3/c18-17(22)13-5-9-19(10-6-13)15-7-11-20(12-8-15)14-1-3-16(4-2-14)21(23)24/h1-4,13,15H,5-12H2,(H2,18,22)
InChIKeyBGILBTKNSSQGFC-UHFFFAOYSA-N
XLogP1.76
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-(4-nitrophenyl)piperidin-4-yl]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

(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 63032721
N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 47131082
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
2-[1-[1-(4-nitrophenyl)piperidin-4-yl]azetidin-3-yl]propan-2-ol
CID 171547460
1-(4-methylcyclohexyl)-4-(4-nitrophenyl)piperazine
CID 2846428
1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine
CID 30983093
2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198584
(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide
CID 94375145
2-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)benzoic acid
CID 66736354
tert-butyl 3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-1-carboxylate
CID 177318456
ethane;2-[1-(4-nitrophenyl)piperidin-4-yl]propan-2-ol
CID 145201437

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide (CID 172592234) is 1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is BGILBTKNSSQGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c18-17(22)13-5-9-19(10-6-13)15-7-11-20(12-8-15)14-1-3-16(4-2-14)21(23)24/h1-4,13,15H,5-12H2,(H2,18,22).
What are the key properties of 1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide?
1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 172592234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).