N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide

C34H47N3O — CID 142145298

IUPACN-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide
SMILESCCC(=O)N(C)c1ccccc1.CCN(CCc1ccccc1)CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H34N2.C10H13NO/c1-2-25(17-13-22-9-5-3-6-10-22)21-24-15-19-26(20-16-24)18-14-23-11-7-4-8-12-23;1-3-10(12)11(2)9-7-5-4-6-8-9/h3-12,24H,2,13-21H2,1H3;4-8H,3H2,1-2H3
InChIKeyXKXCMWVIXXEAQM-UHFFFAOYSA-N
MW513.77 g/mol
LogP6.57
Rot. Bonds11

About N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide

N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide (PubChem CID 142145298) has the molecular formula C34H47N3O and a molecular weight of 513.77 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide
PubChem CID142145298
Molecular FormulaC34H47N3O
Molecular Weight513.77 g/mol
Exact Mass513.37
IUPAC NameN-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide
SMILESCCC(=O)N(C)c1ccccc1.CCN(CCc1ccccc1)CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H34N2.C10H13NO/c1-2-25(17-13-22-9-5-3-6-10-22)21-24-15-19-26(20-16-24)18-14-23-11-7-4-8-12-23;1-3-10(12)11(2)9-7-5-4-6-8-9/h3-12,24H,2,13-21H2,1H3;4-8H,3H2,1-2H3
InChIKeyXKXCMWVIXXEAQM-UHFFFAOYSA-N
XLogP6.57
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.77
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide with MolForge

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Related Compounds

ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
CID 24769365
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide
CID 162665076
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
(E)-but-2-enedioic acid;N-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 158094757
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60505380
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide?
The IUPAC name of N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide (CID 142145298) is N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide?
The canonical SMILES for N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide is CCC(=O)N(C)c1ccccc1.CCN(CCc1ccccc1)CC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide?
The InChIKey is XKXCMWVIXXEAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2.C10H13NO/c1-2-25(17-13-22-9-5-3-6-10-22)21-24-15-19-26(20-16-24)18-14-23-11-7-4-8-12-23;1-3-10(12)11(2)9-7-5-4-6-8-9/h3-12,24H,2,13-21H2,1H3;4-8H,3H2,1-2H3.
What are the key properties of N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide?
N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide has a molecular weight of 513.77 g/mol, XLogP of 6.57, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide is sourced from PubChem (CID 142145298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).