2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide

C19H28N2O2 — CID 110822595

IUPAC2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
SMILESCc1ccc(CCC(=O)N2CCC(NC(=O)C(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-14(2)19(23)20-17-10-12-21(13-11-17)18(22)9-8-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,20,23)
InChIKeyNQYOGBBVNSZMCK-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.69
Rot. Bonds5

About 2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide (PubChem CID 110822595) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
PubChem CID110822595
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
SMILESCc1ccc(CCC(=O)N2CCC(NC(=O)C(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-14(2)19(23)20-17-10-12-21(13-11-17)18(22)9-8-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,20,23)
InChIKeyNQYOGBBVNSZMCK-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270
1-[4-(1-chloroethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 106838871
prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566504
3-cyclohexyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108555735
2-chloroethyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566503
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108566500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide (CID 110822595) is 2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide is Cc1ccc(CCC(=O)N2CCC(NC(=O)C(C)C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is NQYOGBBVNSZMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(2)19(23)20-17-10-12-21(13-11-17)18(22)9-8-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,20,23).
What are the key properties of 2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 316.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 110822595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).