3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one

C17H27N3O — CID 81047905

IUPAC3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCCC1c1ccc[nH]1)C1CCCNC1
InChIInChI=1S/C17H27N3O/c1-13(14-5-2-8-18-12-14)11-17(21)20-10-4-7-16(20)15-6-3-9-19-15/h3,6,9,13-14,16,18-19H,2,4-5,7-8,10-12H2,1H3
InChIKeyUCLAOEBFJHTQDC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.70
Rot. Bonds4

About 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one

3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 81047905) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID81047905
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCCC1c1ccc[nH]1)C1CCCNC1
InChIInChI=1S/C17H27N3O/c1-13(14-5-2-8-18-12-14)11-17(21)20-10-4-7-16(20)15-6-3-9-19-15/h3,6,9,13-14,16,18-19H,2,4-5,7-8,10-12H2,1H3
InChIKeyUCLAOEBFJHTQDC-UHFFFAOYSA-N
XLogP2.70
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119773302
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119872621
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 79203456
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
CID 81043675
3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one
CID 119760181
1-(2-methylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119785155
1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 81043659
1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119758347
N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119697659
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 79203455

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one (CID 81047905) is 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one is CC(CC(=O)N1CCCC1c1ccc[nH]1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is UCLAOEBFJHTQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(14-5-2-8-18-12-14)11-17(21)20-10-4-7-16(20)15-6-3-9-19-15/h3,6,9,13-14,16,18-19H,2,4-5,7-8,10-12H2,1H3.
What are the key properties of 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one?
3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 81047905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).