4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one

C22H31N3O4 — CID 25479313

IUPAC4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H31N3O4/c1-28-20-14-16(22(27)25-13-10-23-21(26)15-25)6-7-19(20)29-18-8-11-24(12-9-18)17-4-2-3-5-17/h6-7,14,17-18H,2-5,8-13,15H2,1H3,(H,23,26)
InChIKeyFRAIDJDIHYEIGK-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.05
Rot. Bonds5

About 4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one

4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one (PubChem CID 25479313) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one
PubChem CID25479313
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H31N3O4/c1-28-20-14-16(22(27)25-13-10-23-21(26)15-25)6-7-19(20)29-18-8-11-24(12-9-18)17-4-2-3-5-17/h6-7,14,17-18H,2-5,8-13,15H2,1H3,(H,23,26)
InChIKeyFRAIDJDIHYEIGK-UHFFFAOYSA-N
XLogP2.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42462257
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 154900150
4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one
CID 31095647
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029
4-(3-methoxy-4-nitrobenzoyl)piperazin-2-one
CID 115602215
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 25491681
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 72856524
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
1-[4-[4-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-2-methoxyphenoxy]piperidin-1-yl]ethanone
CID 133127375
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 25371424
3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 26408301

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one?
The IUPAC name of 4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one (CID 25479313) is 4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one.
What is the SMILES notation for 4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one?
The canonical SMILES for 4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one is COc1cc(C(=O)N2CCNC(=O)C2)ccc1OC1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one?
The InChIKey is FRAIDJDIHYEIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-28-20-14-16(22(27)25-13-10-23-21(26)15-25)6-7-19(20)29-18-8-11-24(12-9-18)17-4-2-3-5-17/h6-7,14,17-18H,2-5,8-13,15H2,1H3,(H,23,26).
What are the key properties of 4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one?
4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one has a molecular weight of 401.51 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one is sourced from PubChem (CID 25479313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).