N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide

C31H42N4O2 — CID 71813992

IUPACN-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(=O)CN1CCN(CCCCc2c[nH]c3ccccc23)CC1)C1CCCCC1
InChIInChI=1S/C31H42N4O2/c1-37-30-17-8-7-16-29(30)35(26-12-3-2-4-13-26)31(36)24-34-21-19-33(20-22-34)18-10-9-11-25-23-32-28-15-6-5-14-27(25)28/h5-8,14-17,23,26,32H,2-4,9-13,18-22,24H2,1H3
InChIKeyVLSUYDUNLLYIPY-UHFFFAOYSA-N
MW502.70 g/mol
LogP5.48
Rot. Bonds10

About N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide

N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 71813992) has the molecular formula C31H42N4O2 and a molecular weight of 502.70 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID71813992
Molecular FormulaC31H42N4O2
Molecular Weight502.70 g/mol
Exact Mass502.33
IUPAC NameN-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(=O)CN1CCN(CCCCc2c[nH]c3ccccc23)CC1)C1CCCCC1
InChIInChI=1S/C31H42N4O2/c1-37-30-17-8-7-16-29(30)35(26-12-3-2-4-13-26)31(36)24-34-21-19-33(20-22-34)18-10-9-11-25-23-32-28-15-6-5-14-27(25)28/h5-8,14-17,23,26,32H,2-4,9-13,18-22,24H2,1H3
InChIKeyVLSUYDUNLLYIPY-UHFFFAOYSA-N
XLogP5.48
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide
CID 175406462
3-[4-[4-[5-(2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464770
N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 51556220
3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10298788
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086533
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10226137
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide
CID 51093208
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-N-(3-methylphenyl)propanamide
CID 3191835
N-cyclohexyl-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47003752

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 71813992) is N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1N(C(=O)CN1CCN(CCCCc2c[nH]c3ccccc23)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is VLSUYDUNLLYIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O2/c1-37-30-17-8-7-16-29(30)35(26-12-3-2-4-13-26)31(36)24-34-21-19-33(20-22-34)18-10-9-11-25-23-32-28-15-6-5-14-27(25)28/h5-8,14-17,23,26,32H,2-4,9-13,18-22,24H2,1H3.
What are the key properties of N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 502.70 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 71813992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).