N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide

C19H20N4O4 — CID 27825671

IUPACN-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1
InChIInChI=1S/C19H20N4O4/c1-14(24)20-16-6-4-5-15(13-16)19(25)22-11-9-21(10-12-22)17-7-2-3-8-18(17)23(26)27/h2-8,13H,9-12H2,1H3,(H,20,24)
InChIKeyITIGWIINAWBLRW-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.52
Rot. Bonds4

About N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide

N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 27825671) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID27825671
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1
InChIInChI=1S/C19H20N4O4/c1-14(24)20-16-6-4-5-15(13-16)19(25)22-11-9-21(10-12-22)17-7-2-3-8-18(17)23(26)27/h2-8,13H,9-12H2,1H3,(H,20,24)
InChIKeyITIGWIINAWBLRW-UHFFFAOYSA-N
XLogP2.52
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.52
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'}

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Related Compounds

4-(2-nitrophenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 55697312
methyl 4-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzoate
CID 27824973
(4-methoxy-3-nitrophenyl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 27825582
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
[3-(benzenesulfonylmethyl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 55770937
1-[4-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-nitrophenyl]ethanone
CID 52855654
(3,5-dimethoxy-4-methylphenyl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 34890492
[4-(aminomethyl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone;hydrochloride
CID 119266930
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
(4-methyl-3-nitrophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151572
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide (CID 27825671) is N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1.
What is the InChIKey of N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is ITIGWIINAWBLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-14(24)20-16-6-4-5-15(13-16)19(25)22-11-9-21(10-12-22)17-7-2-3-8-18(17)23(26)27/h2-8,13H,9-12H2,1H3,(H,20,24).
What are the key properties of N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 27825671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).