(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone

C19H23N3O — CID 110441029

IUPAC(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C19H23N3O/c23-19(22-14-9-18(15-22)21-12-3-4-13-21)16-5-7-17(8-6-16)20-10-1-2-11-20/h1-2,5-8,10-11,18H,3-4,9,12-15H2
InChIKeyZMHITHSZWCZLDT-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.79
Rot. Bonds3

About (3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone

(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 110441029) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
PubChem CID110441029
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C19H23N3O/c23-19(22-14-9-18(15-22)21-12-3-4-13-21)16-5-7-17(8-6-16)20-10-1-2-11-20/h1-2,5-8,10-11,18H,3-4,9,12-15H2
InChIKeyZMHITHSZWCZLDT-UHFFFAOYSA-N
XLogP2.79
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63524427
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 25031425
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(4-hydroxy-3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 103951868
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121190542
cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 110803719
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761

Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone (CID 110441029) is (3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCC(N2CCCC2)C1.
What is the InChIKey of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is ZMHITHSZWCZLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(22-14-9-18(15-22)21-12-3-4-13-21)16-5-7-17(8-6-16)20-10-1-2-11-20/h1-2,5-8,10-11,18H,3-4,9,12-15H2.
What are the key properties of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone?
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 309.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 110441029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).