N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide

C35H46N4O3 — CID 22458175

IUPACN-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide
SMILESCOc1ccccc1N(CCN1CCN(c2cccc3c2ccn3C(=O)C2CCCCC2)CC1)C(=O)C1CCCCC1
InChIInChI=1S/C35H46N4O3/c1-42-33-18-9-8-15-32(33)39(35(41)28-13-6-3-7-14-28)26-23-36-21-24-37(25-22-36)30-16-10-17-31-29(30)19-20-38(31)34(40)27-11-4-2-5-12-27/h8-10,15-20,27-28H,2-7,11-14,21-26H2,1H3
InChIKeyVKHJOFCNIYYIMD-UHFFFAOYSA-N
MW570.78 g/mol
LogP6.61
Rot. Bonds8

About N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide

N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide (PubChem CID 22458175) has the molecular formula C35H46N4O3 and a molecular weight of 570.78 g/mol. Its IUPAC name is N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide
PubChem CID22458175
Molecular FormulaC35H46N4O3
Molecular Weight570.78 g/mol
Exact Mass570.36
IUPAC NameN-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide
SMILESCOc1ccccc1N(CCN1CCN(c2cccc3c2ccn3C(=O)C2CCCCC2)CC1)C(=O)C1CCCCC1
InChIInChI=1S/C35H46N4O3/c1-42-33-18-9-8-15-32(33)39(35(41)28-13-6-3-7-14-28)26-23-36-21-24-37(25-22-36)30-16-10-17-31-29(30)19-20-38(31)34(40)27-11-4-2-5-12-27/h8-10,15-20,27-28H,2-7,11-14,21-26H2,1H3
InChIKeyVKHJOFCNIYYIMD-UHFFFAOYSA-N
XLogP6.61
TPSA58.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 22458201
N-(6-iodo-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 10325198
N-[2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 70145702
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-nitrophenyl)cyclohexanecarboxamide
CID 22458136
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 10623523
[2-[4-[2-[cyclohexanecarbonyl(pyridin-2-yl)amino]ethyl]piperazin-1-yl]phenyl] sulfite
CID 10344749
N-[2-[4-[4-(butanoylamino)-2-methoxyphenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70238622
1-[4-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]indol-1-yl]ethanone
CID 10228687
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 15524030
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 23290924

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide (CID 22458175) is N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide is COc1ccccc1N(CCN1CCN(c2cccc3c2ccn3C(=O)C2CCCCC2)CC1)C(=O)C1CCCCC1.
What is the InChIKey of N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide?
The InChIKey is VKHJOFCNIYYIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N4O3/c1-42-33-18-9-8-15-32(33)39(35(41)28-13-6-3-7-14-28)26-23-36-21-24-37(25-22-36)30-16-10-17-31-29(30)19-20-38(31)34(40)27-11-4-2-5-12-27/h8-10,15-20,27-28H,2-7,11-14,21-26H2,1H3.
What are the key properties of N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide?
N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide has a molecular weight of 570.78 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(cyclohexanecarbonyl)indol-4-yl]piperazin-1-yl]ethyl]-N-(2-methoxyphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 22458175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).