[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone

C19H19N3O5 — CID 1147872

IUPAC[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C19H19N3O5/c1-27-17-8-4-15(5-9-17)19(24)21-12-10-20(11-13-21)18(23)14-2-6-16(7-3-14)22(25)26/h2-9H,10-13H2,1H3
InChIKeyMEWVQHIBIOXESJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.20
Rot. Bonds4

About [4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone

[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone (PubChem CID 1147872) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
PubChem CID1147872
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C19H19N3O5/c1-27-17-8-4-15(5-9-17)19(24)21-12-10-20(11-13-21)18(23)14-2-6-16(7-3-14)22(25)26/h2-9H,10-13H2,1H3
InChIKeyMEWVQHIBIOXESJ-UHFFFAOYSA-N
XLogP2.20
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
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-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 806461
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108563476
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-methyl-1-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
CID 51165773
(4-methoxyphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539186
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 4597379
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(4-nitrophenoxy)ethanone
CID 39566306
ethane;(4-methylsulfanylpiperazin-1-yl)-(4-nitrophenyl)methanone
CID 162359993
[4-(4-nitrophenyl)piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 2890000
(4-butoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 4032993

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone (CID 1147872) is [4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The InChIKey is MEWVQHIBIOXESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-27-17-8-4-15(5-9-17)19(24)21-12-10-20(11-13-21)18(23)14-2-6-16(7-3-14)22(25)26/h2-9H,10-13H2,1H3.
What are the key properties of [4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone has a molecular weight of 369.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 1147872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).