N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide

C22H28N2O — CID 109014601

IUPACN-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
SMILESCC1CCN(CCC(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-19-12-15-23(16-13-19)17-14-22(25)24(21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
InChIKeyLGWAZQSMHIYOTE-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.34
Rot. Bonds6

About N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide

N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide (PubChem CID 109014601) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
PubChem CID109014601
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
SMILESCC1CCN(CCC(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-19-12-15-23(16-13-19)17-14-22(25)24(21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
InChIKeyLGWAZQSMHIYOTE-UHFFFAOYSA-N
XLogP4.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014553
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide
CID 109032779
N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
CID 111123187
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407
N-benzyl-3-(cyclopentylamino)-N-phenylpropanamide
CID 109013738
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
CID 52659816

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide?
The IUPAC name of N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide (CID 109014601) is N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide?
The canonical SMILES for N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide is CC1CCN(CCC(=O)N(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide?
The InChIKey is LGWAZQSMHIYOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-19-12-15-23(16-13-19)17-14-22(25)24(21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3.
What are the key properties of N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide?
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide has a molecular weight of 336.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 109014601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).