N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide

C27H43N3O3 — CID 153420812

IUPACN-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCC(C2CCC(C(=O)N3CCN(C(=O)C4(C)CC4)CC3)CC2)C1
InChIInChI=1S/C27H43N3O3/c1-27(12-13-27)26(33)30-16-14-29(15-17-30)25(32)21-8-6-19(7-9-21)22-4-3-5-23(18-22)28(2)24(31)20-10-11-20/h19-23H,3-18H2,1-2H3
InChIKeyIDUWTHLXTBONIE-UHFFFAOYSA-N
MW457.66 g/mol
LogP3.69
Rot. Bonds5

About N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide

N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide (PubChem CID 153420812) has the molecular formula C27H43N3O3 and a molecular weight of 457.66 g/mol. Its IUPAC name is N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide
PubChem CID153420812
Molecular FormulaC27H43N3O3
Molecular Weight457.66 g/mol
Exact Mass457.33
IUPAC NameN-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCC(C2CCC(C(=O)N3CCN(C(=O)C4(C)CC4)CC3)CC2)C1
InChIInChI=1S/C27H43N3O3/c1-27(12-13-27)26(33)30-16-14-29(15-17-30)25(32)21-8-6-19(7-9-21)22-4-3-5-23(18-22)28(2)24(31)20-10-11-20/h19-23H,3-18H2,1-2H3
InChIKeyIDUWTHLXTBONIE-UHFFFAOYSA-N
XLogP3.69
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.66
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide
CID 153420716
[4-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)cyclohexyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420589
[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
[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11890050
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406843
4-(cyclopropanecarbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 60738795
[4-(7-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)cyclohexyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420654
[4-[1-(cyclobutylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindazol-5-yl]cyclohexyl]-[4-[1-(1-methylcyclopropyl)ethenyl]piperazin-1-yl]methanone
CID 153420705
[4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone
CID 153420693
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
N-(1,1-dioxothiolan-3-yl)-4-(4-formylpiperazine-1-carbonyl)-N-methylcyclohexane-1-carboxamide
CID 109147609
[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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide (CID 153420812) is N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide is CN(C(=O)C1CC1)C1CCCC(C2CCC(C(=O)N3CCN(C(=O)C4(C)CC4)CC3)CC2)C1.
What is the InChIKey of N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is IDUWTHLXTBONIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O3/c1-27(12-13-27)26(33)30-16-14-29(15-17-30)25(32)21-8-6-19(7-9-21)22-4-3-5-23(18-22)28(2)24(31)20-10-11-20/h19-23H,3-18H2,1-2H3.
What are the key properties of N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide?
N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 457.66 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 153420812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).