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

C18H26N2O3 — CID 110014493

IUPAC(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1CN1CCN(C(=O)C2CCCC2O)CC1
InChIInChI=1S/C18H26N2O3/c1-23-17-8-3-2-5-14(17)13-19-9-11-20(12-10-19)18(22)15-6-4-7-16(15)21/h2-3,5,8,15-16,21H,4,6-7,9-13H2,1H3
InChIKeyQJEGWJBWNDCQMD-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.50
Rot. Bonds4

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

(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 110014493) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID110014493
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1CN1CCN(C(=O)C2CCCC2O)CC1
InChIInChI=1S/C18H26N2O3/c1-23-17-8-3-2-5-14(17)13-19-9-11-20(12-10-19)18(22)15-6-4-7-16(15)21/h2-3,5,8,15-16,21H,4,6-7,9-13H2,1H3
InChIKeyQJEGWJBWNDCQMD-UHFFFAOYSA-N
XLogP1.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
2-[(1R,2S)-2-hydroxycyclohexyl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 100678175
(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 163328426
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 119876147
2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 136519424
[5-(aminomethyl)oxolan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 169493694
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
[(2S)-6-benzoyl-6-azaspiro[2.5]octan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 125162163
1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 74249525
1-cyclopropyl-4-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 70722242
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 110014493) is (2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccccc1CN1CCN(C(=O)C2CCCC2O)CC1.
What is the InChIKey of (2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is QJEGWJBWNDCQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-17-8-3-2-5-14(17)13-19-9-11-20(12-10-19)18(22)15-6-4-7-16(15)21/h2-3,5,8,15-16,21H,4,6-7,9-13H2,1H3.
What are the key properties of (2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110014493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).