1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one

C17H24N2O — CID 110647409

IUPAC1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
SMILESO=C(CCc1ccc(N2CCCC2)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O/c20-17(19-13-3-4-14-19)10-7-15-5-8-16(9-6-15)18-11-1-2-12-18/h5-6,8-9H,1-4,7,10-14H2
InChIKeyVVYPXYDCUAZURO-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.84
Rot. Bonds4

About 1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one

1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one (PubChem CID 110647409) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
PubChem CID110647409
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
SMILESO=C(CCc1ccc(N2CCCC2)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O/c20-17(19-13-3-4-14-19)10-7-15-5-8-16(9-6-15)18-11-1-2-12-18/h5-6,8-9H,1-4,7,10-14H2
InChIKeyVVYPXYDCUAZURO-UHFFFAOYSA-N
XLogP2.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-piperidin-1-ylphenyl)propan-1-one
CID 110648815
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 55918908
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110647246
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
1-(azetidin-1-yl)-3-(4-nitrophenyl)propan-1-one
CID 69030579
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 26199822
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113145791

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one (CID 110647409) is 1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one is O=C(CCc1ccc(N2CCCC2)cc1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one?
The InChIKey is VVYPXYDCUAZURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(19-13-3-4-14-19)10-7-15-5-8-16(9-6-15)18-11-1-2-12-18/h5-6,8-9H,1-4,7,10-14H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one?
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one is sourced from PubChem (CID 110647409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).