4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

C23H27N5O4 — CID 27231869

IUPAC4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1
InChIInChI=1S/C23H27N5O4/c29-22(18-10-12-27(13-11-18)23(30)24-19-4-2-1-3-5-19)26-16-14-25(15-17-26)20-6-8-21(9-7-20)28(31)32/h1-9,18H,10-17H2,(H,24,30)
InChIKeyISWYWSCZUDWICX-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.19
Rot. Bonds4

About 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 27231869) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID27231869
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1
InChIInChI=1S/C23H27N5O4/c29-22(18-10-12-27(13-11-18)23(30)24-19-4-2-1-3-5-19)26-16-14-25(15-17-26)20-6-8-21(9-7-20)28(31)32/h1-9,18H,10-17H2,(H,24,30)
InChIKeyISWYWSCZUDWICX-UHFFFAOYSA-N
XLogP3.19
TPSA99.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.19
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'}

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Related Compounds

4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134049478
N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 4991386
[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426149
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 78819250
4-(4-nitrophenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583638
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 37162780
[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 30016751
N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3824217
4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667388
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
N-(benzenesulfonyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 171476486

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 27231869) is 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1.
What is the InChIKey of 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ISWYWSCZUDWICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c29-22(18-10-12-27(13-11-18)23(30)24-19-4-2-1-3-5-19)26-16-14-25(15-17-26)20-6-8-21(9-7-20)28(31)32/h1-9,18H,10-17H2,(H,24,30).
What are the key properties of 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 27231869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).