2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide

C25H32N2O — CID 142203721

IUPAC2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide
SMILESC=C(CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1
InChIInChI=1S/C25H32N2O/c1-19(2)25(28)26-24-11-7-10-23(18-24)22-13-16-27(17-14-22)15-12-20(3)21-8-5-4-6-9-21/h4-11,18-19,22H,3,12-17H2,1-2H3,(H,26,28)
InChIKeyNNMMXNYIYYWPCB-UHFFFAOYSA-N
MW376.54 g/mol
LogP5.56
Rot. Bonds7

About 2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide

2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide (PubChem CID 142203721) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide
PubChem CID142203721
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide
SMILESC=C(CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1
InChIInChI=1S/C25H32N2O/c1-19(2)25(28)26-24-11-7-10-23(18-24)22-13-16-27(17-14-22)15-12-20(3)21-8-5-4-6-9-21/h4-11,18-19,22H,3,12-17H2,1-2H3,(H,26,28)
InChIKeyNNMMXNYIYYWPCB-UHFFFAOYSA-N
XLogP5.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
N-[3-[1-[3-(1-anilinoethenylamino)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89383026
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
N-[3-[1-[5-(4-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049378
N-[3-[1-[3-(2-bromophenoxy)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049496
2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate
CID 22725373
3,5-dichloro-N-[4-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]butyl]benzamide
CID 22048745
N-[3-[1-[3-(4-bromophenoxy)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049169
N-[3-[1-[(3S)-3-[3,4-bis(iodomethyl)phenoxy]-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89382966
N-[3-[1-[(3S)-3-(tert-butylcarbamothioylamino)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 58651275
N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide (CID 142203721) is 2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide is C=C(CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide?
The InChIKey is NNMMXNYIYYWPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-19(2)25(28)26-24-11-7-10-23(18-24)22-13-16-27(17-14-22)15-12-20(3)21-8-5-4-6-9-21/h4-11,18-19,22H,3,12-17H2,1-2H3,(H,26,28).
What are the key properties of 2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide?
2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide has a molecular weight of 376.54 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 142203721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).