1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one

C13H18N2O — CID 83888257

IUPAC1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C13H18N2O/c1-11(16)9-12-5-6-14-13(10-12)15-7-3-2-4-8-15/h5-6,10H,2-4,7-9H2,1H3
InChIKeyHRGJARSJAKFVQO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.20
Rot. Bonds3

About 1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one

1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one (PubChem CID 83888257) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
PubChem CID83888257
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C13H18N2O/c1-11(16)9-12-5-6-14-13(10-12)15-7-3-2-4-8-15/h5-6,10H,2-4,7-9H2,1H3
InChIKeyHRGJARSJAKFVQO-UHFFFAOYSA-N
XLogP2.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260
3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
CID 82661762
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111805510
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377
methyl 4-[[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzoate
CID 55770129
N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273250

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one?
The IUPAC name of 1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one (CID 83888257) is 1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one?
The canonical SMILES for 1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one is CC(=O)Cc1ccnc(N2CCCCC2)c1.
What is the InChIKey of 1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one?
The InChIKey is HRGJARSJAKFVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16)9-12-5-6-14-13(10-12)15-7-3-2-4-8-15/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one?
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one is sourced from PubChem (CID 83888257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).