7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C24H41N3O2 — CID 167348569

IUPAC7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCCC2CC(C(=O)NCC3(C4CCCCC4N4CCOCC4)CC3)NC12
InChIInChI=1S/C24H41N3O2/c1-17-5-4-6-18-15-20(26-22(17)18)23(28)25-16-24(9-10-24)19-7-2-3-8-21(19)27-11-13-29-14-12-27/h17-22,26H,2-16H2,1H3,(H,25,28)
InChIKeyVIGWKPJZHSTVCA-UHFFFAOYSA-N
MW403.61 g/mol
LogP2.94
Rot. Bonds5

About 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167348569) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167348569
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC Name7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCCC2CC(C(=O)NCC3(C4CCCCC4N4CCOCC4)CC3)NC12
InChIInChI=1S/C24H41N3O2/c1-17-5-4-6-18-15-20(26-22(17)18)23(28)25-16-24(9-10-24)19-7-2-3-8-21(19)27-11-13-29-14-12-27/h17-22,26H,2-16H2,1H3,(H,25,28)
InChIKeyVIGWKPJZHSTVCA-UHFFFAOYSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.61
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348575
7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380536
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119268174
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119268173
N-[(4-piperidin-1-yloxan-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119886702
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106101672
N-[(3-hydroxyoxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106101406
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 65120164
7-methyl-N-[1-(1-methylpyrazolidin-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147438079
7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147666958
N-[(1S)-1-(2-chlorocyclohexyl)ethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 146759780
N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 148599613

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167348569) is 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCCC2CC(C(=O)NCC3(C4CCCCC4N4CCOCC4)CC3)NC12.
What is the InChIKey of 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is VIGWKPJZHSTVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O2/c1-17-5-4-6-18-15-20(26-22(17)18)23(28)25-16-24(9-10-24)19-7-2-3-8-21(19)27-11-13-29-14-12-27/h17-22,26H,2-16H2,1H3,(H,25,28).
What are the key properties of 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 403.61 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167348569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).