ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C26H40N2O — CID 160668171

IUPACethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCC.CC.CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O.2C2H6/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;2*1-2/h3-12,21H,2,13-18H2,1H3;2*1-2H3
InChIKeyRMOUWQUOBAJSPD-UHFFFAOYSA-N
MW396.62 g/mol
LogP6.19
Rot. Bonds6

About ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 160668171) has the molecular formula C26H40N2O and a molecular weight of 396.62 g/mol. Its IUPAC name is ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Nameethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID160668171
Molecular FormulaC26H40N2O
Molecular Weight396.62 g/mol
Exact Mass396.31
IUPAC Nameethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCC.CC.CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O.2C2H6/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;2*1-2/h3-12,21H,2,13-18H2,1H3;2*1-2H3
InChIKeyRMOUWQUOBAJSPD-UHFFFAOYSA-N
XLogP6.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
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
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
2-oxo-2-phenylmethoxyacetic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 155024434
N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 25110126
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-[1-[2-[4-(methanethioylamino)phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 154953055
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688

Frequently Asked Questions

What is the IUPAC name of ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 160668171) is ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CC.CC.CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is RMOUWQUOBAJSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O.2C2H6/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;2*1-2/h3-12,21H,2,13-18H2,1H3;2*1-2H3.
What are the key properties of ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 396.62 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 160668171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).