3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one

C19H27N5O — CID 110106525

IUPAC3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCN(CCC(=O)N1CCCC(Cc2ccn[nH]2)C1)Cc1cccnc1
InChIInChI=1S/C19H27N5O/c1-23(14-17-4-2-8-20-13-17)11-7-19(25)24-10-3-5-16(15-24)12-18-6-9-21-22-18/h2,4,6,8-9,13,16H,3,5,7,10-12,14-15H2,1H3,(H,21,22)
InChIKeyXFESCPXEOQYXSD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.11
Rot. Bonds7

About 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one

3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 110106525) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID110106525
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCN(CCC(=O)N1CCCC(Cc2ccn[nH]2)C1)Cc1cccnc1
InChIInChI=1S/C19H27N5O/c1-23(14-17-4-2-8-20-13-17)11-7-19(25)24-10-3-5-16(15-24)12-18-6-9-21-22-18/h2,4,6,8-9,13,16H,3,5,7,10-12,14-15H2,1H3,(H,21,22)
InChIKeyXFESCPXEOQYXSD-UHFFFAOYSA-N
XLogP2.11
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124979428
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
3-(2-methylpyrazol-3-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 118740370
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70770060
3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620
1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610379

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one (CID 110106525) is 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one is CN(CCC(=O)N1CCCC(Cc2ccn[nH]2)C1)Cc1cccnc1.
What is the InChIKey of 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is XFESCPXEOQYXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23(14-17-4-2-8-20-13-17)11-7-19(25)24-10-3-5-16(15-24)12-18-6-9-21-22-18/h2,4,6,8-9,13,16H,3,5,7,10-12,14-15H2,1H3,(H,21,22).
What are the key properties of 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one?
3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 341.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110106525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).