[(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone

C25H32FN3O2 — CID 146120252

IUPAC[(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc([C@H]2C[C@H](NCc3ccccc3F)C[C@@H]2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C25H32FN3O2/c1-28-11-13-29(14-12-28)25(30)23-16-20(27-17-19-5-3-4-6-24(19)26)15-22(23)18-7-9-21(31-2)10-8-18/h3-10,20,22-23,27H,11-17H2,1-2H3/t20-,22+,23-/m0/s1
InChIKeyFNVLTWACYJNTFY-WWNPGLIZSA-N
MW425.55 g/mol
LogP3.26
Rot. Bonds6

About [(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone

[(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 146120252) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is [(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID146120252
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name[(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc([C@H]2C[C@H](NCc3ccccc3F)C[C@@H]2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C25H32FN3O2/c1-28-11-13-29(14-12-28)25(30)23-16-20(27-17-19-5-3-4-6-24(19)26)15-22(23)18-7-9-21(31-2)10-8-18/h3-10,20,22-23,27H,11-17H2,1-2H3/t20-,22+,23-/m0/s1
InChIKeyFNVLTWACYJNTFY-WWNPGLIZSA-N
XLogP3.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120253
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120250
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327388
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentyl]-morpholin-4-ylmethanone
CID 146120324
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
CID 146120286
1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 110611250
3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide
CID 146120343
1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120284
(3S,5S)-1-[(2-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 56873794
(2R,3S)-N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740203
N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134248

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone (CID 146120252) is [(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc([C@H]2C[C@H](NCc3ccccc3F)C[C@@H]2C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of [(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FNVLTWACYJNTFY-WWNPGLIZSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-28-11-13-29(14-12-28)25(30)23-16-20(27-17-19-5-3-4-6-24(19)26)15-22(23)18-7-9-21(31-2)10-8-18/h3-10,20,22-23,27H,11-17H2,1-2H3/t20-,22+,23-/m0/s1.
What are the key properties of [(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
[(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 425.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 146120252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).