N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide

C44H65N5O — CID 140543052

IUPACN,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide
SMILESCc1cccc(N2CCN(CCC3CCC(NC(=O)C4=C(C5CCC(CCN6CCN(c7cccc(C)c7)CC6)CC5)CCC4)CC3)CC2)c1
InChIInChI=1S/C44H65N5O/c1-34-6-3-8-40(32-34)48-28-24-46(25-29-48)22-20-36-12-16-38(17-13-36)42-10-5-11-43(42)44(50)45-39-18-14-37(15-19-39)21-23-47-26-30-49(31-27-47)41-9-4-7-35(2)33-41/h3-4,6-9,32-33,36-39H,5,10-31H2,1-2H3,(H,45,50)
InChIKeyBGCUXQDQFSSISD-UHFFFAOYSA-N
MW680.04 g/mol
LogP7.99
Rot. Bonds11

About N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide

N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide (PubChem CID 140543052) has the molecular formula C44H65N5O and a molecular weight of 680.04 g/mol. Its IUPAC name is N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide
PubChem CID140543052
Molecular FormulaC44H65N5O
Molecular Weight680.04 g/mol
Exact Mass679.52
IUPAC NameN,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide
SMILESCc1cccc(N2CCN(CCC3CCC(NC(=O)C4=C(C5CCC(CCN6CCN(c7cccc(C)c7)CC6)CC5)CCC4)CC3)CC2)c1
InChIInChI=1S/C44H65N5O/c1-34-6-3-8-40(32-34)48-28-24-46(25-29-48)22-20-36-12-16-38(17-13-36)42-10-5-11-43(42)44(50)45-39-18-14-37(15-19-39)21-23-47-26-30-49(31-27-47)41-9-4-7-35(2)33-41/h3-4,6-9,32-33,36-39H,5,10-31H2,1-2H3,(H,45,50)
InChIKeyBGCUXQDQFSSISD-UHFFFAOYSA-N
XLogP7.99
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.04
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 155035458
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 161309199
2-cyano-N-[4-[2-[4-(3-hydroxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 118481083
3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 174589477
2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
CID 90323221
4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
CID 70956348
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971

Frequently Asked Questions

What is the IUPAC name of N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide?
The IUPAC name of N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide (CID 140543052) is N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide?
The canonical SMILES for N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide is Cc1cccc(N2CCN(CCC3CCC(NC(=O)C4=C(C5CCC(CCN6CCN(c7cccc(C)c7)CC6)CC5)CCC4)CC3)CC2)c1.
What is the InChIKey of N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide?
The InChIKey is BGCUXQDQFSSISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H65N5O/c1-34-6-3-8-40(32-34)48-28-24-46(25-29-48)22-20-36-12-16-38(17-13-36)42-10-5-11-43(42)44(50)45-39-18-14-37(15-19-39)21-23-47-26-30-49(31-27-47)41-9-4-7-35(2)33-41/h3-4,6-9,32-33,36-39H,5,10-31H2,1-2H3,(H,45,50).
What are the key properties of N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide?
N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide has a molecular weight of 680.04 g/mol, XLogP of 7.99, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 140543052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).