[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone

C29H32N2O4 — CID 55429925

IUPAC[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C29H32N2O4/c1-34-22-12-13-27(35-2)25(19-22)26-11-6-16-31(26)28(32)21-14-17-30(18-15-21)29(33)24-10-5-8-20-7-3-4-9-23(20)24/h3-5,7-10,12-13,19,21,26H,6,11,14-18H2,1-2H3
InChIKeyQDPYQYDATOZIGR-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.07
Rot. Bonds5

About [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone

[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone (PubChem CID 55429925) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
PubChem CID55429925
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C29H32N2O4/c1-34-22-12-13-27(35-2)25(19-22)26-11-6-16-31(26)28(32)21-14-17-30(18-15-21)29(33)24-10-5-8-20-7-3-4-9-23(20)24/h3-5,7-10,12-13,19,21,26H,6,11,14-18H2,1-2H3
InChIKeyQDPYQYDATOZIGR-UHFFFAOYSA-N
XLogP5.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 47013445
ethyl 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42920226
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 55685739
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 55388919
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92598542
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide
CID 55430041
(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 40919247
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 46525291
2-[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 29364468

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone (CID 55429925) is [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone is COc1ccc(OC)c(C2CCCN2C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The InChIKey is QDPYQYDATOZIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-34-22-12-13-27(35-2)25(19-22)26-11-6-16-31(26)28(32)21-14-17-30(18-15-21)29(33)24-10-5-8-20-7-3-4-9-23(20)24/h3-5,7-10,12-13,19,21,26H,6,11,14-18H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone has a molecular weight of 472.59 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55429925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).