4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide

C13H16N2O3 — CID 93040598

IUPAC4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C13H16N2O3/c14-12(17)9-3-5-10(6-4-9)13(18)15-7-1-2-11(16)8-15/h3-6,11,16H,1-2,7-8H2,(H2,14,17)/t11-/m0/s1
InChIKeyCFZASSUPXUCGOJ-NSHDSACASA-N
MW248.28 g/mol
LogP0.38
Rot. Bonds2

About 4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide

4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide (PubChem CID 93040598) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
PubChem CID93040598
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C13H16N2O3/c14-12(17)9-3-5-10(6-4-9)13(18)15-7-1-2-11(16)8-15/h3-6,11,16H,1-2,7-8H2,(H2,14,17)/t11-/m0/s1
InChIKeyCFZASSUPXUCGOJ-NSHDSACASA-N
XLogP0.38
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194
[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62178263
4-(3-propylpiperidine-1-carbonyl)benzamide
CID 119163399
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 115276942

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide?
The IUPAC name of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide (CID 93040598) is 4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide?
The canonical SMILES for 4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide is NC(=O)c1ccc(C(=O)N2CCC[C@H](O)C2)cc1.
What is the InChIKey of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide?
The InChIKey is CFZASSUPXUCGOJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c14-12(17)9-3-5-10(6-4-9)13(18)15-7-1-2-11(16)8-15/h3-6,11,16H,1-2,7-8H2,(H2,14,17)/t11-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide?
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide has a molecular weight of 248.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide is sourced from PubChem (CID 93040598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).