(3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide

C21H22N4O2 — CID 126430079

IUPAC(3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide
SMILESCn1ncc2cc(-c3cccc(C(=O)N4CCC[C@H](C(N)=O)C4)c3)ccc21
InChIInChI=1S/C21H22N4O2/c1-24-19-8-7-15(11-18(19)12-23-24)14-4-2-5-16(10-14)21(27)25-9-3-6-17(13-25)20(22)26/h2,4-5,7-8,10-12,17H,3,6,9,13H2,1H3,(H2,22,26)/t17-/m0/s1
InChIKeyCNNIQMUYAKUQHJ-KRWDZBQOSA-N
MW362.43 g/mol
LogP2.58
Rot. Bonds3

About (3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide

(3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 126430079) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide
PubChem CID126430079
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide
SMILESCn1ncc2cc(-c3cccc(C(=O)N4CCC[C@H](C(N)=O)C4)c3)ccc21
InChIInChI=1S/C21H22N4O2/c1-24-19-8-7-15(11-18(19)12-23-24)14-4-2-5-16(10-14)21(27)25-9-3-6-17(13-25)20(22)26/h2,4-5,7-8,10-12,17H,3,6,9,13H2,1H3,(H2,22,26)/t17-/m0/s1
InChIKeyCNNIQMUYAKUQHJ-KRWDZBQOSA-N
XLogP2.58
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
Epz005687
CID 60160561
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
2-phenyl-2H-indazole-7-carboxamide
CID 44549251
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 9954929
N-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
CID 11397742
N-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 21252893
10-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-methyl-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 70896220

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide (CID 126430079) is (3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide is Cn1ncc2cc(-c3cccc(C(=O)N4CCC[C@H](C(N)=O)C4)c3)ccc21.
What is the InChIKey of (3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is CNNIQMUYAKUQHJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-19-8-7-15(11-18(19)12-23-24)14-4-2-5-16(10-14)21(27)25-9-3-6-17(13-25)20(22)26/h2,4-5,7-8,10-12,17H,3,6,9,13H2,1H3,(H2,22,26)/t17-/m0/s1.
What are the key properties of (3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide?
(3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(1-methylindazol-5-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 126430079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).