(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone

C19H28N2O4 — CID 134020580

IUPAC(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)N2CCN(C3CCCC3)CC2)cc1OC
InChIInChI=1S/C19H28N2O4/c1-23-16-13-18(25-3)17(24-2)12-15(16)19(22)21-10-8-20(9-11-21)14-6-4-5-7-14/h12-14H,4-11H2,1-3H3
InChIKeyVUVMQIKLTQWMKR-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.41
Rot. Bonds5

About (4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone

(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone (PubChem CID 134020580) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
PubChem CID134020580
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)N2CCN(C3CCCC3)CC2)cc1OC
InChIInChI=1S/C19H28N2O4/c1-23-16-13-18(25-3)17(24-2)12-15(16)19(22)21-10-8-20(9-11-21)14-6-4-5-7-14/h12-14H,4-11H2,1-3H3
InChIKeyVUVMQIKLTQWMKR-UHFFFAOYSA-N
XLogP2.41
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one
CID 154784378
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(3-piperazin-1-ylpyrrolidin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 120997118
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189
[(3R)-3-hydroxypyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 66291347
(3-bromopiperidin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 80658518
2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 55584263
[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 70705758
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone
CID 55949816
(3S)-1-(2,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113499

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone (CID 134020580) is (4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)N2CCN(C3CCCC3)CC2)cc1OC.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone?
The InChIKey is VUVMQIKLTQWMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-23-16-13-18(25-3)17(24-2)12-15(16)19(22)21-10-8-20(9-11-21)14-6-4-5-7-14/h12-14H,4-11H2,1-3H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone has a molecular weight of 348.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 134020580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).