2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one

C20H28N2O2 — CID 110354943

IUPAC2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(C(=O)N2CCN(C(=O)C(C)C3CCCC3)CC2)c1
InChIInChI=1S/C20H28N2O2/c1-15-6-5-9-18(14-15)20(24)22-12-10-21(11-13-22)19(23)16(2)17-7-3-4-8-17/h5-6,9,14,16-17H,3-4,7-8,10-13H2,1-2H3
InChIKeyPAEAOLOEINNAEA-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.11
Rot. Bonds3

About 2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one

2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 110354943) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
PubChem CID110354943
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(C(=O)N2CCN(C(=O)C(C)C3CCCC3)CC2)c1
InChIInChI=1S/C20H28N2O2/c1-15-6-5-9-18(14-15)20(24)22-12-10-21(11-13-22)19(23)16(2)17-7-3-4-8-17/h5-6,9,14,16-17H,3-4,7-8,10-13H2,1-2H3
InChIKeyPAEAOLOEINNAEA-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46152855
(2S)-2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 119282271
N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide
CID 110632659
(2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208373
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110311064
2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786261
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
(2S)-2-amino-4-methyl-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119710666
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 71783046

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one (CID 110354943) is 2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one is Cc1cccc(C(=O)N2CCN(C(=O)C(C)C3CCCC3)CC2)c1.
What is the InChIKey of 2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is PAEAOLOEINNAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-6-5-9-18(14-15)20(24)22-12-10-21(11-13-22)19(23)16(2)17-7-3-4-8-17/h5-6,9,14,16-17H,3-4,7-8,10-13H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one?
2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 328.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110354943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).