3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide

C19H23N3O3 — CID 95134564

IUPAC3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CN3CCC[C@H](O)C3)c2)cn1
InChIInChI=1S/C19H23N3O3/c1-25-18-8-7-16(11-20-18)21-19(24)15-5-2-4-14(10-15)12-22-9-3-6-17(23)13-22/h2,4-5,7-8,10-11,17,23H,3,6,9,12-13H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyILVYWJTULHEOTA-KRWDZBQOSA-N
MW341.41 g/mol
LogP2.30
Rot. Bonds5

About 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide

3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 95134564) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID95134564
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CN3CCC[C@H](O)C3)c2)cn1
InChIInChI=1S/C19H23N3O3/c1-25-18-8-7-16(11-20-18)21-19(24)15-5-2-4-14(10-15)12-22-9-3-6-17(23)13-22/h2,4-5,7-8,10-11,17,23H,3,6,9,12-13H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyILVYWJTULHEOTA-KRWDZBQOSA-N
XLogP2.30
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 95134565
N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 130255032
N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119516230
N-(6-methoxy-3-pyridinyl)-4-[(2-methylmorpholin-4-yl)methyl]benzamide
CID 47027041
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide
CID 72704841
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
CID 24707094
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564
N-(6-methoxy-3-pyridinyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597736
1-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 125157500

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide (CID 95134564) is 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2cccc(CN3CCC[C@H](O)C3)c2)cn1.
What is the InChIKey of 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is ILVYWJTULHEOTA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-25-18-8-7-16(11-20-18)21-19(24)15-5-2-4-14(10-15)12-22-9-3-6-17(23)13-22/h2,4-5,7-8,10-11,17,23H,3,6,9,12-13H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide?
3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 95134564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).