(3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide

C15H22N4O2 — CID 172908512

IUPAC(3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide
SMILESCn1cc2c(n1)CCC[C@@H]2C(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H22N4O2/c1-18-9-12-11(5-2-6-13(12)17-18)15(21)19-7-3-4-10(8-19)14(16)20/h9-11H,2-8H2,1H3,(H2,16,20)/t10-,11-/m0/s1
InChIKeyBUOYLGKYMMYMLX-QWRGUYRKSA-N
MW290.37 g/mol
LogP0.56
Rot. Bonds2

About (3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide

(3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 172908512) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID172908512
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide
SMILESCn1cc2c(n1)CCC[C@@H]2C(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H22N4O2/c1-18-9-12-11(5-2-6-13(12)17-18)15(21)19-7-3-4-10(8-19)14(16)20/h9-11H,2-8H2,1H3,(H2,16,20)/t10-,11-/m0/s1
InChIKeyBUOYLGKYMMYMLX-QWRGUYRKSA-N
XLogP0.56
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920573
(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71971097
N,N-diethyl-4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazine-1-carboxamide
CID 75426007
(3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
CID 172908503
2-[(3-Ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide
CID 86790342
N-(cyclopropylmethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-4-carboxamide
CID 121542996
2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-N-propyl-4,5,6,7-tetrahydroindazole-4-carboxamide
CID 121543483
1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide
CID 164630540
1-[1-[(4R)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]azetidin-3-yl]imidazolidin-2-one
CID 164642926
N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 75475607
1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide
CID 75475686
N-[(7R)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 97346847

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide (CID 172908512) is (3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide is Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is BUOYLGKYMMYMLX-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18-9-12-11(5-2-6-13(12)17-18)15(21)19-7-3-4-10(8-19)14(16)20/h9-11H,2-8H2,1H3,(H2,16,20)/t10-,11-/m0/s1.
What are the key properties of (3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide?
(3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).