[3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C23H35N3O3 — CID 26395156

IUPAC[3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(OC2CCN(C3CCCC3)CC2)c1)N1CCN(CCO)CC1
InChIInChI=1S/C23H35N3O3/c27-17-16-24-12-14-26(15-13-24)23(28)19-4-3-7-22(18-19)29-21-8-10-25(11-9-21)20-5-1-2-6-20/h3-4,7,18,20-21,27H,1-2,5-6,8-17H2
InChIKeyYWOIOPADMVAYRZ-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.22
Rot. Bonds6

About [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

[3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 26395156) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID26395156
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name[3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(OC2CCN(C3CCCC3)CC2)c1)N1CCN(CCO)CC1
InChIInChI=1S/C23H35N3O3/c27-17-16-24-12-14-26(15-13-24)23(28)19-4-3-7-22(18-19)29-21-8-10-25(11-9-21)20-5-1-2-6-20/h3-4,7,18,20-21,27H,1-2,5-6,8-17H2
InChIKeyYWOIOPADMVAYRZ-UHFFFAOYSA-N
XLogP2.22
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983
[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24792029
(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69067801
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
3-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 63308703

Frequently Asked Questions

What is the IUPAC name of [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 26395156) is [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1cccc(OC2CCN(C3CCCC3)CC2)c1)N1CCN(CCO)CC1.
What is the InChIKey of [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is YWOIOPADMVAYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c27-17-16-24-12-14-26(15-13-24)23(28)19-4-3-7-22(18-19)29-21-8-10-25(11-9-21)20-5-1-2-6-20/h3-4,7,18,20-21,27H,1-2,5-6,8-17H2.
What are the key properties of [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 401.55 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 26395156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).