3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide

C17H26N4O3 — CID 132776989

IUPAC3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide
SMILESCN(CC(=O)N1CCCC(O)(CCC(N)=O)C1)Cc1cccnc1
InChIInChI=1S/C17H26N4O3/c1-20(11-14-4-2-8-19-10-14)12-16(23)21-9-3-6-17(24,13-21)7-5-15(18)22/h2,4,8,10,24H,3,5-7,9,11-13H2,1H3,(H2,18,22)
InChIKeyDXNAHCXQWKCKLA-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.13
Rot. Bonds7

About 3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide

3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide (PubChem CID 132776989) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide
PubChem CID132776989
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide
SMILESCN(CC(=O)N1CCCC(O)(CCC(N)=O)C1)Cc1cccnc1
InChIInChI=1S/C17H26N4O3/c1-20(11-14-4-2-8-19-10-14)12-16(23)21-9-3-6-17(24,13-21)7-5-15(18)22/h2,4,8,10,24H,3,5-7,9,11-13H2,1H3,(H2,18,22)
InChIKeyDXNAHCXQWKCKLA-UHFFFAOYSA-N
XLogP0.13
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 156603645
(6R)-2-(2-methoxyethyl)-8-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97273637
(6S)-1-methyl-4-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-1,4-diazepane-6-carboxamide
CID 124992362
1-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 42518118
1-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 45221335
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 124941960
1-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677725
[1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 118768662
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 125015209
3-[(3R,4S)-4-(dimethylamino)-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanoic acid
CID 72926561
1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 124949111
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide (CID 132776989) is 3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide is CN(CC(=O)N1CCCC(O)(CCC(N)=O)C1)Cc1cccnc1.
What is the InChIKey of 3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide?
The InChIKey is DXNAHCXQWKCKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20(11-14-4-2-8-19-10-14)12-16(23)21-9-3-6-17(24,13-21)7-5-15(18)22/h2,4,8,10,24H,3,5-7,9,11-13H2,1H3,(H2,18,22).
What are the key properties of 3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide?
3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 132776989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).