2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone

C27H36N2O3 — CID 134554329

IUPAC2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccc(CC(C)N2CCN(C(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1
InChIInChI=1S/C27H36N2O3/c1-21(20-22-12-14-25(32-2)15-13-22)28-16-18-29(19-17-28)26(30)27(31,24-10-6-7-11-24)23-8-4-3-5-9-23/h3-5,8-9,12-15,21,24,31H,6-7,10-11,16-20H2,1-2H3
InChIKeyVXRXSLRTPOSDIG-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.85
Rot. Bonds7

About 2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone

2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone (PubChem CID 134554329) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone
PubChem CID134554329
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccc(CC(C)N2CCN(C(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1
InChIInChI=1S/C27H36N2O3/c1-21(20-22-12-14-25(32-2)15-13-22)28-16-18-29(19-17-28)26(30)27(31,24-10-6-7-11-24)23-8-4-3-5-9-23/h3-5,8-9,12-15,21,24,31H,6-7,10-11,16-20H2,1-2H3
InChIKeyVXRXSLRTPOSDIG-UHFFFAOYSA-N
XLogP3.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-methoxy-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 11798126
3-(4-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573197
1-[4-[4-[(4-Methoxyphenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389732
N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 49798130
(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 146020568
2-(4-Methoxy-phenyl)-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethanone
CID 401822
1,4-Bis[(4-methoxyphenyl)acetyl]piperazine
CID 1010420
1-[4-[2-(4-Methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone
CID 1359190
N-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-2,2-bis-(4-methoxy-phenyl)-acetamide
CID 10093851
1-Cyclobutyl-1-hydroxy-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one
CID 10409196
2-Cyclopentyl-2-hydroxy-N-[1-(3-methoxy-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 11796509
4-methoxybenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate
CID 16728325

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone (CID 134554329) is 2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone is COc1ccc(CC(C)N2CCN(C(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is VXRXSLRTPOSDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-21(20-22-12-14-25(32-2)15-13-22)28-16-18-29(19-17-28)26(30)27(31,24-10-6-7-11-24)23-8-4-3-5-9-23/h3-5,8-9,12-15,21,24,31H,6-7,10-11,16-20H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone?
2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 436.60 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-1-[4-[1-(4-methoxyphenyl)propan-2-yl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 134554329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).