2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide

C18H28N2O — CID 79702981

IUPAC2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCNCC1)C(=O)Cc1ccccc1C
InChIInChI=1S/C18H28N2O/c1-3-12-20(14-16-8-10-19-11-9-16)18(21)13-17-7-5-4-6-15(17)2/h4-7,16,19H,3,8-14H2,1-2H3
InChIKeyGBCOYZZDHMRBFE-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.78
Rot. Bonds6

About 2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide

2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide (PubChem CID 79702981) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
PubChem CID79702981
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCNCC1)C(=O)Cc1ccccc1C
InChIInChI=1S/C18H28N2O/c1-3-12-20(14-16-8-10-19-11-9-16)18(21)13-17-7-5-4-6-15(17)2/h4-7,16,19H,3,8-14H2,1-2H3
InChIKeyGBCOYZZDHMRBFE-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291
2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702214
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670
N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
3-methyl-N-(piperidin-4-ylmethyl)-N-propylfuran-2-carboxamide
CID 79720557
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695
1,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylpyrazole-4-carboxamide
CID 79720334

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide (CID 79702981) is 2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide is CCCN(CC1CCNCC1)C(=O)Cc1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The InChIKey is GBCOYZZDHMRBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-12-20(14-16-8-10-19-11-9-16)18(21)13-17-7-5-4-6-15(17)2/h4-7,16,19H,3,8-14H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide?
2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide has a molecular weight of 288.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide is sourced from PubChem (CID 79702981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).