N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide

C28H39N3O — CID 126539534

IUPACN-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
SMILESCCC(=O)N(CC1(N2CCN(CCc3ccccc3)CC2)CCCCC1)c1ccccc1
InChIInChI=1S/C28H39N3O/c1-2-27(32)31(26-14-8-4-9-15-26)24-28(17-10-5-11-18-28)30-22-20-29(21-23-30)19-16-25-12-6-3-7-13-25/h3-4,6-9,12-15H,2,5,10-11,16-24H2,1H3
InChIKeyWTCOWJNAWPDEDT-UHFFFAOYSA-N
MW433.64 g/mol
LogP4.99
Rot. Bonds8

About N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide

N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide (PubChem CID 126539534) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
PubChem CID126539534
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC NameN-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
SMILESCCC(=O)N(CC1(N2CCN(CCc3ccccc3)CC2)CCCCC1)c1ccccc1
InChIInChI=1S/C28H39N3O/c1-2-27(32)31(26-14-8-4-9-15-26)24-28(17-10-5-11-18-28)30-22-20-29(21-23-30)19-16-25-12-6-3-7-13-25/h3-4,6-9,12-15H,2,5,10-11,16-24H2,1H3
InChIKeyWTCOWJNAWPDEDT-UHFFFAOYSA-N
XLogP4.99
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.64
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide with MolForge

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Related Compounds

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
CID 126539472
N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
CID 137371237
N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
CID 137371248
N-(6-methyl-2-pyridinyl)-N-[[4-[4-(2-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 157152523
N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide
CID 126539567
N-[[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]oxan-4-yl]methyl]-N-phenylpropanamide
CID 126539476
N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
CID 3060235
N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
CID 137371192
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-methoxyphenyl)propanamide
CID 126509200
1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea
CID 126507084
N-phenyl-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
CID 3060009
N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 139471542

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide?
The IUPAC name of N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide (CID 126539534) is N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide.
What is the SMILES notation for N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide?
The canonical SMILES for N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide is CCC(=O)N(CC1(N2CCN(CCc3ccccc3)CC2)CCCCC1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide?
The InChIKey is WTCOWJNAWPDEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-2-27(32)31(26-14-8-4-9-15-26)24-28(17-10-5-11-18-28)30-22-20-29(21-23-30)19-16-25-12-6-3-7-13-25/h3-4,6-9,12-15H,2,5,10-11,16-24H2,1H3.
What are the key properties of N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide?
N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide has a molecular weight of 433.64 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide is sourced from PubChem (CID 126539534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).