N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide

C19H25N5O3 — CID 122488219

IUPACN-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(N[C@@H](CCCO)C(=O)N1CCCCC1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C19H25N5O3/c25-12-4-5-17(19(27)23-10-2-1-3-11-23)22-18(26)15-6-8-16(9-7-15)24-13-20-21-14-24/h6-9,13-14,17,25H,1-5,10-12H2,(H,22,26)/t17-/m0/s1
InChIKeyAZOUSVOFYXMQDG-KRWDZBQOSA-N
MW371.44 g/mol
LogP1.15
Rot. Bonds7

About N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide

N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 122488219) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID122488219
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(N[C@@H](CCCO)C(=O)N1CCCCC1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C19H25N5O3/c25-12-4-5-17(19(27)23-10-2-1-3-11-23)22-18(26)15-6-8-16(9-7-15)24-13-20-21-14-24/h6-9,13-14,17,25H,1-5,10-12H2,(H,22,26)/t17-/m0/s1
InChIKeyAZOUSVOFYXMQDG-KRWDZBQOSA-N
XLogP1.15
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide with MolForge

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Related Compounds

4-fluoro-N-[5-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 123672364
4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 122488241
4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 123723921
N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 122488593
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 146193082
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone
CID 124568573
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide
CID 42703090
N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 111433796
4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 146680933
N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1,5-dioxopentan-2-yl]-4-(triazol-1-yl)benzamide
CID 122488598
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide (CID 122488219) is N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide is O=C(N[C@@H](CCCO)C(=O)N1CCCCC1)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is AZOUSVOFYXMQDG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-12-4-5-17(19(27)23-10-2-1-3-11-23)22-18(26)15-6-8-16(9-7-15)24-13-20-21-14-24/h6-9,13-14,17,25H,1-5,10-12H2,(H,22,26)/t17-/m0/s1.
What are the key properties of N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide?
N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 371.44 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 122488219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).