1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

C14H21N3O — CID 175657779

IUPAC1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCNC1CCN(C(=O)CCc2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-15-13-6-9-17(10-7-13)14(18)5-4-12-3-2-8-16-11-12/h2-3,8,11,13,15H,4-7,9-10H2,1H3
InChIKeyRPXORSJXTYVAPJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.22
Rot. Bonds4

About 1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 175657779) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID175657779
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCNC1CCN(C(=O)CCc2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-15-13-6-9-17(10-7-13)14(18)5-4-12-3-2-8-16-11-12/h2-3,8,11,13,15H,4-7,9-10H2,1H3
InChIKeyRPXORSJXTYVAPJ-UHFFFAOYSA-N
XLogP1.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115304597
(2R)-2-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
CID 92852526
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
1-[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110128461
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115746441
1-[4-(methylamino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 175658528
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 175657779) is 1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is CNC1CCN(C(=O)CCc2cccnc2)CC1.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is RPXORSJXTYVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-13-6-9-17(10-7-13)14(18)5-4-12-3-2-8-16-11-12/h2-3,8,11,13,15H,4-7,9-10H2,1H3.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 175657779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).