[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone

C26H33NO4 — CID 15391990

IUPAC[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3ccc(OC)c(OC4CCCC4)c3)CC2)cc1
InChIInChI=1S/C26H33NO4/c1-29-22-10-8-21(9-11-22)26(28)27-15-13-19(14-16-27)17-20-7-12-24(30-2)25(18-20)31-23-5-3-4-6-23/h7-12,18-19,23H,3-6,13-17H2,1-2H3
InChIKeyUUBYHCLHAVPMRF-UHFFFAOYSA-N
MW423.55 g/mol
LogP5.12
Rot. Bonds7

About [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone

[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 15391990) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID15391990
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3ccc(OC)c(OC4CCCC4)c3)CC2)cc1
InChIInChI=1S/C26H33NO4/c1-29-22-10-8-21(9-11-22)26(28)27-15-13-19(14-16-27)17-20-7-12-24(30-2)25(18-20)31-23-5-3-4-6-23/h7-12,18-19,23H,3-6,13-17H2,1-2H3
InChIKeyUUBYHCLHAVPMRF-UHFFFAOYSA-N
XLogP5.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 54097241
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 54527223
[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 110289562
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone
CID 54508259
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
1-[4-[[4-methoxy-3-[1-[4-(4-methylphenyl)benzoyl]piperidin-4-yl]oxyphenyl]methyl]piperazin-1-yl]ethanone
CID 45202370
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 2920925
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-methylpyridin-1-ium-2-yl]-piperidin-1-ylmethanone
CID 67583346
[4-[4-[4-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]phenyl]-[4-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 59651080
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
2-cyclopropyl-1-[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]propan-1-one
CID 110628517
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932

Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 15391990) is [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(Cc3ccc(OC)c(OC4CCCC4)c3)CC2)cc1.
What is the InChIKey of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is UUBYHCLHAVPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-29-22-10-8-21(9-11-22)26(28)27-15-13-19(14-16-27)17-20-7-12-24(30-2)25(18-20)31-23-5-3-4-6-23/h7-12,18-19,23H,3-6,13-17H2,1-2H3.
What are the key properties of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 423.55 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 15391990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).