(2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

C25H37N3O2 — CID 93208373

IUPAC(2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCc1cccc(C(=O)N2CCN([C@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)c1
InChIInChI=1S/C25H37N3O2/c1-19-8-7-12-22(18-19)24(29)27-16-14-26(15-17-27)23(21-10-3-4-11-21)25(30)28-13-6-5-9-20(28)2/h7-8,12,18,20-21,23H,3-6,9-11,13-17H2,1-2H3/t20-,23+/m1/s1
InChIKeyUTMOWPKNDITXLA-OFNKIYASSA-N
MW411.59 g/mol
LogP3.71
Rot. Bonds4

About (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

(2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 93208373) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID93208373
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name(2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCc1cccc(C(=O)N2CCN([C@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)c1
InChIInChI=1S/C25H37N3O2/c1-19-8-7-12-22(18-19)24(29)27-16-14-26(15-17-27)23(21-10-3-4-11-21)25(30)28-13-6-5-9-20(28)2/h7-8,12,18,20-21,23H,3-6,9-11,13-17H2,1-2H3/t20-,23+/m1/s1
InChIKeyUTMOWPKNDITXLA-OFNKIYASSA-N
XLogP3.71
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208320
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46152855
(2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208375
(2R)-2-cyclopentyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208350
(2S)-2-cyclopentyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208347
(2R)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208356
2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110354943
1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 93208314
4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42843501
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 93208373) is (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone is Cc1cccc(C(=O)N2CCN([C@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)c1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is UTMOWPKNDITXLA-OFNKIYASSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-19-8-7-12-22(18-19)24(29)27-16-14-26(15-17-27)23(21-10-3-4-11-21)25(30)28-13-6-5-9-20(28)2/h7-8,12,18,20-21,23H,3-6,9-11,13-17H2,1-2H3/t20-,23+/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
(2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 411.59 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 93208373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).