(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone

C19H28N2O3 — CID 110908412

IUPAC(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CCN2CCN(C(=O)C3(O)CCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-24-17-6-4-16(5-7-17)8-11-20-12-14-21(15-13-20)18(22)19(23)9-2-3-10-19/h4-7,23H,2-3,8-15H2,1H3
InChIKeySLLOLEWMSKEAFB-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.69
Rot. Bonds5

About (1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone

(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 110908412) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
PubChem CID110908412
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CCN2CCN(C(=O)C3(O)CCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-24-17-6-4-16(5-7-17)8-11-20-12-14-21(15-13-20)18(22)19(23)9-2-3-10-19/h4-7,23H,2-3,8-15H2,1H3
InChIKeySLLOLEWMSKEAFB-UHFFFAOYSA-N
XLogP1.69
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 110912966
tert-butyl 4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxylate
CID 78903599
(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 118666758
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
4-[2-(4-methoxyphenyl)ethyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113109503
(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide
CID 94797572

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone (CID 110908412) is (1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone is COc1ccc(CCN2CCN(C(=O)C3(O)CCCC3)CC2)cc1.
What is the InChIKey of (1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is SLLOLEWMSKEAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-24-17-6-4-16(5-7-17)8-11-20-12-14-21(15-13-20)18(22)19(23)9-2-3-10-19/h4-7,23H,2-3,8-15H2,1H3.
What are the key properties of (1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110908412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).