3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one

C18H26N2O — CID 69037109

IUPAC3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(C2CCCCN2)cc1)N1CCCC1
InChIInChI=1S/C18H26N2O/c21-18(20-13-3-4-14-20)11-8-15-6-9-16(10-7-15)17-5-1-2-12-19-17/h6-7,9-10,17,19H,1-5,8,11-14H2
InChIKeyINBYGHITGGJUFS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.06
Rot. Bonds4

About 3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one

3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 69037109) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID69037109
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(C2CCCCN2)cc1)N1CCCC1
InChIInChI=1S/C18H26N2O/c21-18(20-13-3-4-14-20)11-8-15-6-9-16(10-7-15)17-5-1-2-12-19-17/h6-7,9-10,17,19H,1-5,8,11-14H2
InChIKeyINBYGHITGGJUFS-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]piperidine-2-carboxamide
CID 119303603
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
3-phenyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119306810
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 58597255
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
4-piperidin-2-ylphenol
CID 19711202
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311328
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine
CID 117366264
3-(4-methoxyphenyl)-1-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92595626

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 69037109) is 3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1ccc(C2CCCCN2)cc1)N1CCCC1.
What is the InChIKey of 3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is INBYGHITGGJUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(20-13-3-4-14-20)11-8-15-6-9-16(10-7-15)17-5-1-2-12-19-17/h6-7,9-10,17,19H,1-5,8,11-14H2.
What are the key properties of 3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 286.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 69037109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).