(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone

C25H32N2O4 — CID 55584698

IUPAC(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C3CCCC3)CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H32N2O4/c1-29-22-16-20(17-23(30-2)24(22)31-18-19-8-4-3-5-9-19)25(28)27-14-12-26(13-15-27)21-10-6-7-11-21/h3-5,8-9,16-17,21H,6-7,10-15,18H2,1-2H3
InChIKeyNXFGNTITCIQEFN-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.98
Rot. Bonds7

About (4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone

(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone (PubChem CID 55584698) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
PubChem CID55584698
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C3CCCC3)CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H32N2O4/c1-29-22-16-20(17-23(30-2)24(22)31-18-19-8-4-3-5-9-19)25(28)27-14-12-26(13-15-27)21-10-6-7-11-21/h3-5,8-9,16-17,21H,6-7,10-15,18H2,1-2H3
InChIKeyNXFGNTITCIQEFN-UHFFFAOYSA-N
XLogP3.98
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone
CID 56511756
[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119412235
1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119355480
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983
N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 24547474
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55584592
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone (CID 55584698) is (4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(C3CCCC3)CC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone?
The InChIKey is NXFGNTITCIQEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-29-22-16-20(17-23(30-2)24(22)31-18-19-8-4-3-5-9-19)25(28)27-14-12-26(13-15-27)21-10-6-7-11-21/h3-5,8-9,16-17,21H,6-7,10-15,18H2,1-2H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone has a molecular weight of 424.54 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 55584698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).