[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

C18H24N2O2 — CID 32515989

IUPAC[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c1
InChIInChI=1S/C18H24N2O2/c1-12-8-13(2)10-15(9-12)17(21)19-4-6-20(7-5-19)18(22)16-11-14(16)3/h8-10,14,16H,4-7,11H2,1-3H3/t14-,16-/m1/s1
InChIKeyLYXVAJFCVPAQBT-GDBMZVCRSA-N
MW300.40 g/mol
LogP2.24
Rot. Bonds2

About [4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (PubChem CID 32515989) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is [4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
PubChem CID32515989
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c1
InChIInChI=1S/C18H24N2O2/c1-12-8-13(2)10-15(9-12)17(21)19-4-6-20(7-5-19)18(22)16-11-14(16)3/h8-10,14,16H,4-7,11H2,1-3H3/t14-,16-/m1/s1
InChIKeyLYXVAJFCVPAQBT-GDBMZVCRSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 112811843
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498
(3,5-dimethylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7242278
(3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane
CID 142986703
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975160
(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone
CID 114683018
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
1-(3,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064706
aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
CID 27654
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 33014024
(3S,4S)-1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952489

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The IUPAC name of [4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (CID 32515989) is [4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.
What is the SMILES notation for [4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The canonical SMILES for [4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is Cc1cc(C)cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c1.
What is the InChIKey of [4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The InChIKey is LYXVAJFCVPAQBT-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-8-13(2)10-15(9-12)17(21)19-4-6-20(7-5-19)18(22)16-11-14(16)3/h8-10,14,16H,4-7,11H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of [4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone has a molecular weight of 300.40 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 32515989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).