1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide

C18H24N4O3 — CID 117074039

IUPAC1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide
SMILESCC(C)[C@H](O)C(=O)N1CCCC(C(=O)Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C18H24N4O3/c1-11(2)16(23)18(25)22-7-3-4-12(10-22)17(24)20-14-5-6-15-13(8-14)9-19-21-15/h5-6,8-9,11-12,16,23H,3-4,7,10H2,1-2H3,(H,19,21)(H,20,24)/t12?,16-/m0/s1
InChIKeyVAVGMRCICVMARL-INSVYWFGSA-N
MW344.42 g/mol
LogP1.76
Rot. Bonds4

About 1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide

1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide (PubChem CID 117074039) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide
PubChem CID117074039
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide
SMILESCC(C)[C@H](O)C(=O)N1CCCC(C(=O)Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C18H24N4O3/c1-11(2)16(23)18(25)22-7-3-4-12(10-22)17(24)20-14-5-6-15-13(8-14)9-19-21-15/h5-6,8-9,11-12,16,23H,3-4,7,10H2,1-2H3,(H,19,21)(H,20,24)/t12?,16-/m0/s1
InChIKeyVAVGMRCICVMARL-INSVYWFGSA-N
XLogP1.76
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 117073818
(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
CID 117074033
1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073886
1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117072886
3-amino-N-(1H-indazol-5-yl)piperidine-1-carboxamide;hydrochloride
CID 171686977
N-(1H-indazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134037452
N-(1H-indazol-5-yl)-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072879
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97454764
(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 97079601
N-(1H-indazol-5-yl)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072891
N-(1H-indazol-5-yl)-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072877

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide (CID 117074039) is 1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide is CC(C)[C@H](O)C(=O)N1CCCC(C(=O)Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide?
The InChIKey is VAVGMRCICVMARL-INSVYWFGSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(2)16(23)18(25)22-7-3-4-12(10-22)17(24)20-14-5-6-15-13(8-14)9-19-21-15/h5-6,8-9,11-12,16,23H,3-4,7,10H2,1-2H3,(H,19,21)(H,20,24)/t12?,16-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide?
1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 117074039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).