1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide

C24H33N3O2 — CID 157012359

IUPAC1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)N[C@@H]2CCC[C@@H](CN3CCC4(CC3)C(=O)Nc3ccccc34)C2)CC1
InChIInChI=1S/C24H33N3O2/c1-23(9-10-23)21(28)25-18-6-4-5-17(15-18)16-27-13-11-24(12-14-27)19-7-2-3-8-20(19)26-22(24)29/h2-3,7-8,17-18H,4-6,9-16H2,1H3,(H,25,28)(H,26,29)/t17-,18-/m1/s1
InChIKeyWOQLRSBZOXQGEL-QZTJIDSGSA-N
MW395.55 g/mol
LogP3.45
Rot. Bonds4

About 1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide

1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide (PubChem CID 157012359) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide
PubChem CID157012359
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)N[C@@H]2CCC[C@@H](CN3CCC4(CC3)C(=O)Nc3ccccc34)C2)CC1
InChIInChI=1S/C24H33N3O2/c1-23(9-10-23)21(28)25-18-6-4-5-17(15-18)16-27-13-11-24(12-14-27)19-7-2-3-8-20(19)26-22(24)29/h2-3,7-8,17-18H,4-6,9-16H2,1H3,(H,25,28)(H,26,29)/t17-,18-/m1/s1
InChIKeyWOQLRSBZOXQGEL-QZTJIDSGSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(cyclohexylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 134788957
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
N-cyclopropyl-1'-(cyclopropylmethyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide
CID 124554168
1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 70959217
propan-2-yl 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 70657728
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 3042074
1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901883
ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
CID 134431901
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159368131
2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
CID 70959223

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide (CID 157012359) is 1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide is CC1(C(=O)N[C@@H]2CCC[C@@H](CN3CCC4(CC3)C(=O)Nc3ccccc34)C2)CC1.
What is the InChIKey of 1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is WOQLRSBZOXQGEL-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-23(9-10-23)21(28)25-18-6-4-5-17(15-18)16-27-13-11-24(12-14-27)19-7-2-3-8-20(19)26-22(24)29/h2-3,7-8,17-18H,4-6,9-16H2,1H3,(H,25,28)(H,26,29)/t17-,18-/m1/s1.
What are the key properties of 1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide?
1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157012359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).