N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide

C18H26N4O — CID 95227494

IUPACN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide
SMILESCCN1CCC[C@@H](CNC(=O)c2nn(C)c3ccc(C)cc23)C1
InChIInChI=1S/C18H26N4O/c1-4-22-9-5-6-14(12-22)11-19-18(23)17-15-10-13(2)7-8-16(15)21(3)20-17/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeySHUQGAJEQPYTIE-AWEZNQCLSA-N
MW314.43 g/mol
LogP2.34
Rot. Bonds4

About N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide

N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide (PubChem CID 95227494) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide
PubChem CID95227494
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide
SMILESCCN1CCC[C@@H](CNC(=O)c2nn(C)c3ccc(C)cc23)C1
InChIInChI=1S/C18H26N4O/c1-4-22-9-5-6-14(12-22)11-19-18(23)17-15-10-13(2)7-8-16(15)21(3)20-17/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeySHUQGAJEQPYTIE-AWEZNQCLSA-N
XLogP2.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
CID 118788228
3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
CID 95231092
1-ethyl-N-[(1-propylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 56706392
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 94824651
3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide
CID 154779305
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 56707406
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 94811143
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide
CID 153337270
5-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 56702364
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide?
The IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide (CID 95227494) is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide.
What is the SMILES notation for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide?
The canonical SMILES for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide is CCN1CCC[C@@H](CNC(=O)c2nn(C)c3ccc(C)cc23)C1.
What is the InChIKey of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide?
The InChIKey is SHUQGAJEQPYTIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-22-9-5-6-14(12-22)11-19-18(23)17-15-10-13(2)7-8-16(15)21(3)20-17/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide?
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide is sourced from PubChem (CID 95227494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).