3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one

C17H25N3O — CID 114289949

IUPAC3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCc1ccccn1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C17H25N3O/c21-17(9-8-15-6-1-2-10-18-15)20-12-4-5-14(13-20)16-7-3-11-19-16/h1-2,6,10,14,16,19H,3-5,7-9,11-13H2
InChIKeyNDZPKXIWMGNEAT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.00
Rot. Bonds4

About 3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one

3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 114289949) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
PubChem CID114289949
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCc1ccccn1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C17H25N3O/c21-17(9-8-15-6-1-2-10-18-15)20-12-4-5-14(13-20)16-7-3-11-19-16/h1-2,6,10,14,16,19H,3-5,7-9,11-13H2
InChIKeyNDZPKXIWMGNEAT-UHFFFAOYSA-N
XLogP2.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-2-yl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289968
3-pyridin-3-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289950
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;dihydrochloride
CID 119596760
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 25288026
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
1-[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 96581228
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one (CID 114289949) is 3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one is O=C(CCc1ccccn1)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is NDZPKXIWMGNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(9-8-15-6-1-2-10-18-15)20-12-4-5-14(13-20)16-7-3-11-19-16/h1-2,6,10,14,16,19H,3-5,7-9,11-13H2.
What are the key properties of 3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 287.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 114289949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).