1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one

C15H23N3O — CID 114289980

IUPAC1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC1CCC(CN)CN1C(=O)CCc1cccnc1
InChIInChI=1S/C15H23N3O/c1-12-4-5-14(9-16)11-18(12)15(19)7-6-13-3-2-8-17-10-13/h2-3,8,10,12,14H,4-7,9,11,16H2,1H3
InChIKeyXVACEZFPVRVBBG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.60
Rot. Bonds4

About 1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 114289980) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID114289980
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC1CCC(CN)CN1C(=O)CCc1cccnc1
InChIInChI=1S/C15H23N3O/c1-12-4-5-14(9-16)11-18(12)15(19)7-6-13-3-2-8-17-10-13/h2-3,8,10,12,14H,4-7,9,11,16H2,1H3
InChIKeyXVACEZFPVRVBBG-UHFFFAOYSA-N
XLogP1.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
CID 169210710
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43356906
4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 114421990
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate
CID 67301170
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
CID 96577675
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115746441
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one
CID 112534643

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 114289980) is 1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one is CC1CCC(CN)CN1C(=O)CCc1cccnc1.
What is the InChIKey of 1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is XVACEZFPVRVBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-4-5-14(9-16)11-18(12)15(19)7-6-13-3-2-8-17-10-13/h2-3,8,10,12,14H,4-7,9,11,16H2,1H3.
What are the key properties of 1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 114289980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).