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

C27H32N2O3 — CID 54508259

IUPAC[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1OC1CCCC1
InChIInChI=1S/C27H32N2O3/c1-31-25-11-10-20(17-26(25)32-21-6-2-3-7-21)16-19-12-14-29(15-13-19)27(30)23-18-28-24-9-5-4-8-22(23)24/h4-5,8-11,17-19,21,28H,2-3,6-7,12-16H2,1H3
InChIKeyYHGKAMGNDRBCEP-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.59
Rot. Bonds6

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

[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone (PubChem CID 54508259) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone
PubChem CID54508259
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1OC1CCCC1
InChIInChI=1S/C27H32N2O3/c1-31-25-11-10-20(17-26(25)32-21-6-2-3-7-21)16-19-12-14-29(15-13-19)27(30)23-18-28-24-9-5-4-8-22(23)24/h4-5,8-11,17-19,21,28H,2-3,6-7,12-16H2,1H3
InChIKeyYHGKAMGNDRBCEP-UHFFFAOYSA-N
XLogP5.59
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 15391990
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 54527223
(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
CID 113206938
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 54097241
(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086533
N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 52898572
1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethane-1,2-dione
CID 20763739
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
1-[6-methoxy-5-[4-[(4-phosphanylphenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 142871702
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
3-(3,4-dimethoxyphenyl)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 113087764

Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone (CID 54508259) is [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone is COc1ccc(CC2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1OC1CCCC1.
What is the InChIKey of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone?
The InChIKey is YHGKAMGNDRBCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-31-25-11-10-20(17-26(25)32-21-6-2-3-7-21)16-19-12-14-29(15-13-19)27(30)23-18-28-24-9-5-4-8-22(23)24/h4-5,8-11,17-19,21,28H,2-3,6-7,12-16H2,1H3.
What are the key properties of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone?
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone has a molecular weight of 432.56 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 54508259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).