2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide

C18H21N5O — CID 138027553

IUPAC2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide
SMILESCC1=Nc2ccccc2C12CCN(C(=O)Nc1cnn(C)c1)CC2
InChIInChI=1S/C18H21N5O/c1-13-18(15-5-3-4-6-16(15)20-13)7-9-23(10-8-18)17(24)21-14-11-19-22(2)12-14/h3-6,11-12H,7-10H2,1-2H3,(H,21,24)
InChIKeyGNUQVKPBPLDMES-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.09
Rot. Bonds1

About 2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide

2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 138027553) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide
PubChem CID138027553
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide
SMILESCC1=Nc2ccccc2C12CCN(C(=O)Nc1cnn(C)c1)CC2
InChIInChI=1S/C18H21N5O/c1-13-18(15-5-3-4-6-16(15)20-13)7-9-23(10-8-18)17(24)21-14-11-19-22(2)12-14/h3-6,11-12H,7-10H2,1-2H3,(H,21,24)
InChIKeyGNUQVKPBPLDMES-UHFFFAOYSA-N
XLogP3.09
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
1-Cycloheptyl-1-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10646964
1-Cycloheptyl-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10718170
1-Cycloheptyl-1-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 11797565
N-cyano-N'-(2-methylphenyl)-4-[2-(3-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
CID 44455378
(3,4-dihydroquinolin-1(2H)-yl)(4-(1-methyl-1H-pyrazol-4-yl)piperidin-1-yl)methanone
CID 54580341
N-{4-[1-(3-methylbutyl)-1H-pyrazol-4-yl]phenyl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509943
1-(2-Phenylphenyl)-3-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]urea
CID 86305922
1-(2-Phenylphenyl)-3-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]urea
CID 86305969
1-(2-Phenylphenyl)-3-[8-(4-pyridin-3-yltriazol-1-yl)octyl]urea
CID 86305973
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide (CID 138027553) is 2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide is CC1=Nc2ccccc2C12CCN(C(=O)Nc1cnn(C)c1)CC2.
What is the InChIKey of 2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is GNUQVKPBPLDMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-18(15-5-3-4-6-16(15)20-13)7-9-23(10-8-18)17(24)21-14-11-19-22(2)12-14/h3-6,11-12H,7-10H2,1-2H3,(H,21,24).
What are the key properties of 2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide?
2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpyrazol-4-yl)spiro[indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 138027553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).