[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone

C24H36N2O4 — CID 42462257

IUPAC[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@H]1CCN(C(=O)c2ccc(OC3CCN(C4CCCC4)CC3)c(OC)c2)C1
InChIInChI=1S/C24H36N2O4/c1-28-17-18-9-12-26(16-18)24(27)19-7-8-22(23(15-19)29-2)30-21-10-13-25(14-11-21)20-5-3-4-6-20/h7-8,15,18,20-21H,3-6,9-14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyOEIUPZSVJZNHDV-SFHVURJKSA-N
MW416.56 g/mol
LogP3.59
Rot. Bonds7

About [4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone

[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 42462257) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is [4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID42462257
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@H]1CCN(C(=O)c2ccc(OC3CCN(C4CCCC4)CC3)c(OC)c2)C1
InChIInChI=1S/C24H36N2O4/c1-28-17-18-9-12-26(16-18)24(27)19-7-8-22(23(15-19)29-2)30-21-10-13-25(14-11-21)20-5-3-4-6-20/h7-8,15,18,20-21H,3-6,9-14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyOEIUPZSVJZNHDV-SFHVURJKSA-N
XLogP3.59
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one
CID 25479313
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45231622
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 25491681
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 55584266
6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99974461
N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
CID 119480695
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 154900150
3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 26408301
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717

Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 42462257) is [4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@H]1CCN(C(=O)c2ccc(OC3CCN(C4CCCC4)CC3)c(OC)c2)C1.
What is the InChIKey of [4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OEIUPZSVJZNHDV-SFHVURJKSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-28-17-18-9-12-26(16-18)24(27)19-7-8-22(23(15-19)29-2)30-21-10-13-25(14-11-21)20-5-3-4-6-20/h7-8,15,18,20-21H,3-6,9-14,16-17H2,1-2H3/t18-/m0/s1.
What are the key properties of [4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone?
[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 416.56 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42462257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).