N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide

C26H31Cl2N3O2 — CID 24737912

IUPACN-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCCC(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C26H31Cl2N3O2/c27-23-11-10-22(18-24(23)28)30-13-15-31(16-14-30)26(33)20-7-4-8-21(17-20)29-25(32)12-9-19-5-2-1-3-6-19/h1-3,5-6,10-11,18,20-21H,4,7-9,12-17H2,(H,29,32)
InChIKeyKTLATZSUUWVBAD-UHFFFAOYSA-N
MW488.46 g/mol
LogP4.95
Rot. Bonds6

About N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide

N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide (PubChem CID 24737912) has the molecular formula C26H31Cl2N3O2 and a molecular weight of 488.46 g/mol. Its IUPAC name is N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide
PubChem CID24737912
Molecular FormulaC26H31Cl2N3O2
Molecular Weight488.46 g/mol
Exact Mass487.18
IUPAC NameN-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCCC(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C26H31Cl2N3O2/c27-23-11-10-22(18-24(23)28)30-13-15-31(16-14-30)26(33)20-7-4-8-21(17-20)29-25(32)12-9-19-5-2-1-3-6-19/h1-3,5-6,10-11,18,20-21H,4,7-9,12-17H2,(H,29,32)
InChIKeyKTLATZSUUWVBAD-UHFFFAOYSA-N
XLogP4.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide (CID 24737912) is N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCCC(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1.
What is the InChIKey of N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide?
The InChIKey is KTLATZSUUWVBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N3O2/c27-23-11-10-22(18-24(23)28)30-13-15-31(16-14-30)26(33)20-7-4-8-21(17-20)29-25(32)12-9-19-5-2-1-3-6-19/h1-3,5-6,10-11,18,20-21H,4,7-9,12-17H2,(H,29,32).
What are the key properties of N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide?
N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide has a molecular weight of 488.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]cyclohexyl]-3-phenylpropanamide is sourced from PubChem (CID 24737912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).