[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone

C24H40N4O2 — CID 153420644

IUPAC[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone
SMILESCN1NCC2CCC(C3CCC(C(=O)C4CCN(C(=O)C5(N)CC5)CC4)CC3)CC21
InChIInChI=1S/C24H40N4O2/c1-27-21-14-19(6-7-20(21)15-26-27)16-2-4-17(5-3-16)22(29)18-8-12-28(13-9-18)23(30)24(25)10-11-24/h16-21,26H,2-15,25H2,1H3
InChIKeyQOSOJWUJIASYFY-UHFFFAOYSA-N
MW416.61 g/mol
LogP2.33
Rot. Bonds4

About [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone

[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone (PubChem CID 153420644) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone.

Molecular Properties

Compound Name[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone
PubChem CID153420644
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone
SMILESCN1NCC2CCC(C3CCC(C(=O)C4CCN(C(=O)C5(N)CC5)CC4)CC3)CC21
InChIInChI=1S/C24H40N4O2/c1-27-21-14-19(6-7-20(21)15-26-27)16-2-4-17(5-3-16)22(29)18-8-12-28(13-9-18)23(30)24(25)10-11-24/h16-21,26H,2-15,25H2,1H3
InChIKeyQOSOJWUJIASYFY-UHFFFAOYSA-N
XLogP2.33
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone with MolForge

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Related Compounds

1-(1-aminocyclopropanecarbonyl)piperidine-4-carboxamide
CID 65466552
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)cyclohexyl]methanone
CID 153440540
(1-hydroxycyclopropyl)-[4-[1-[4-[1-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl]cyclohexyl]ethenyl]piperazin-1-yl]methanone
CID 153420604
(1-aminocyclopropyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 119730790
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]propanamide
CID 65466835
1-(1-aminocyclohexanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 43579511
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-aminocyclopropyl)methanone
CID 65466572
(1-aminocyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 54916657
1-(1-aminocyclobutanecarbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 81172132
[4-[1-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindazol-5-yl]cyclohexyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420738
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581
(1-aminocyclopropyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65466413

Frequently Asked Questions

What is the IUPAC name of [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone?
The IUPAC name of [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone (CID 153420644) is [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone.
What is the SMILES notation for [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone?
The canonical SMILES for [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone is CN1NCC2CCC(C3CCC(C(=O)C4CCN(C(=O)C5(N)CC5)CC4)CC3)CC21.
What is the InChIKey of [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone?
The InChIKey is QOSOJWUJIASYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-27-21-14-19(6-7-20(21)15-26-27)16-2-4-17(5-3-16)22(29)18-8-12-28(13-9-18)23(30)24(25)10-11-24/h16-21,26H,2-15,25H2,1H3.
What are the key properties of [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone?
[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone has a molecular weight of 416.61 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-[4-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl)cyclohexyl]methanone is sourced from PubChem (CID 153420644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).