N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide

C20H25N3O2 — CID 125163852

IUPACN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
SMILESO=C(NCCN1CCCC[C@H]1CO)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C20H25N3O2/c24-15-19-6-1-2-12-23(19)13-11-22-20(25)18-5-3-4-17(14-18)16-7-9-21-10-8-16/h3-5,7-10,14,19,24H,1-2,6,11-13,15H2,(H,22,25)/t19-/m0/s1
InChIKeyXSKNXYZMUDYOBP-IBGZPJMESA-N
MW339.44 g/mol
LogP2.33
Rot. Bonds6

About N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide

N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide (PubChem CID 125163852) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
PubChem CID125163852
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
SMILESO=C(NCCN1CCCC[C@H]1CO)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C20H25N3O2/c24-15-19-6-1-2-12-23(19)13-11-22-20(25)18-5-3-4-17(14-18)16-7-9-21-10-8-16/h3-5,7-10,14,19,24H,1-2,6,11-13,15H2,(H,22,25)/t19-/m0/s1
InChIKeyXSKNXYZMUDYOBP-IBGZPJMESA-N
XLogP2.33
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-pyridinyl)-N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 125156131
N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 125157558
3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126450240
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70770906
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125446361
3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
CID 119887818
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 119074698
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide?
The IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide (CID 125163852) is N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide?
The canonical SMILES for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide is O=C(NCCN1CCCC[C@H]1CO)c1cccc(-c2ccncc2)c1.
What is the InChIKey of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide?
The InChIKey is XSKNXYZMUDYOBP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O2/c24-15-19-6-1-2-12-23(19)13-11-22-20(25)18-5-3-4-17(14-18)16-7-9-21-10-8-16/h3-5,7-10,14,19,24H,1-2,6,11-13,15H2,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide?
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide is sourced from PubChem (CID 125163852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).