cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone

C18H24N2O2 — CID 110800460

IUPACcyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1C
InChIInChI=1S/C18H24N2O2/c1-12-10-14(3)16(11-13(12)2)18(22)20-8-6-19(7-9-20)17(21)15-4-5-15/h10-11,15H,4-9H2,1-3H3
InChIKeyIXWIPXJTUXDPQM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.31
Rot. Bonds2

About cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone

cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110800460) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
PubChem CID110800460
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Namecyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1C
InChIInChI=1S/C18H24N2O2/c1-12-10-14(3)16(11-13(12)2)18(22)20-8-6-19(7-9-20)17(21)15-4-5-15/h10-11,15H,4-9H2,1-3H3
InChIKeyIXWIPXJTUXDPQM-UHFFFAOYSA-N
XLogP2.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110809344
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
cyclobutyl-[4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110809311
1-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805793
[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 60939271
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide
CID 110812610
cyclopropyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806546
(4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone
CID 110804694
cyclopropyl-[4-(2-methoxy-3,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806493
2-methyl-1-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110806268
cyclopropyl-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806548

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone (CID 110800460) is cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone is Cc1cc(C)c(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1C.
What is the InChIKey of cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is IXWIPXJTUXDPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-10-14(3)16(11-13(12)2)18(22)20-8-6-19(7-9-20)17(21)15-4-5-15/h10-11,15H,4-9H2,1-3H3.
What are the key properties of cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 300.40 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110800460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).