[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone

C24H31N3O4 — CID 112827184

IUPAC[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCC3c3cccn3C)CC2)c1
InChIInChI=1S/C24H31N3O4/c1-25-10-4-6-21(25)22-7-5-11-27(22)24(29)17-8-12-26(13-9-17)23(28)18-14-19(30-2)16-20(15-18)31-3/h4,6,10,14-17,22H,5,7-9,11-13H2,1-3H3
InChIKeyNOSFDPGKHYIAQC-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.26
Rot. Bonds5

About [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone

[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 112827184) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID112827184
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCC3c3cccn3C)CC2)c1
InChIInChI=1S/C24H31N3O4/c1-25-10-4-6-21(25)22-7-5-11-27(22)24(29)17-8-12-26(13-9-17)23(28)18-14-19(30-2)16-20(15-18)31-3/h4,6,10,14-17,22H,5,7-9,11-13H2,1-3H3
InChIKeyNOSFDPGKHYIAQC-UHFFFAOYSA-N
XLogP3.26
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 52612498
cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55758048
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55719269
(5S)-5-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]pyrrolidin-2-one
CID 95134113
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
5-methoxy-2-[(2S)-2-(1-methylpyrrol-2-yl)piperidine-1-carbonyl]pyran-4-one
CID 125141713
methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55759063
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 55797664
1-(3,5-dimethoxybenzoyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]piperidine-4-carboxamide
CID 55721837

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 112827184) is [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCC3c3cccn3C)CC2)c1.
What is the InChIKey of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NOSFDPGKHYIAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-25-10-4-6-21(25)22-7-5-11-27(22)24(29)17-8-12-26(13-9-17)23(28)18-14-19(30-2)16-20(15-18)31-3/h4,6,10,14-17,22H,5,7-9,11-13H2,1-3H3.
What are the key properties of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 425.53 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112827184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).