2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C18H24N4O4 — CID 26999273

IUPAC2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1
InChIInChI=1S/C18H24N4O4/c23-17(20-8-2-1-3-9-20)14-19-10-12-21(13-11-19)18(24)15-4-6-16(7-5-15)22(25)26/h4-7H,1-3,8-14H2
InChIKeyZHPBMHYTPPSADN-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.37
Rot. Bonds4

About 2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 26999273) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID26999273
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1
InChIInChI=1S/C18H24N4O4/c23-17(20-8-2-1-3-9-20)14-19-10-12-21(13-11-19)18(24)15-4-6-16(7-5-15)22(25)26/h4-7H,1-3,8-14H2
InChIKeyZHPBMHYTPPSADN-UHFFFAOYSA-N
XLogP1.37
TPSA87.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.37
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

2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 134025169
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
2-[4-[2-(4-nitrophenyl)sulfanylacetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 46817248
1-(azepan-1-yl)-2-[4-[4-(methylamino)-3-nitrobenzoyl]piperazin-1-yl]ethanone
CID 35609927
1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
N-tert-butyl-2-[4-(4-nitrobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 9078752
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
1-[4-(azepane-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 166354714
2-[4-(4-tert-butyl-3-nitrobenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858898
2-[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 26999412

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 26999273) is 2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is ZHPBMHYTPPSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-17(20-8-2-1-3-9-20)14-19-10-12-21(13-11-19)18(24)15-4-6-16(7-5-15)22(25)26/h4-7H,1-3,8-14H2.
What are the key properties of 2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 360.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 26999273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).