2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide

C17H26N2O — CID 60799979

IUPAC2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(C)cc1)C1CCCNC1
InChIInChI=1S/C17H26N2O/c1-3-11-19(16-5-4-10-18-13-16)17(20)12-15-8-6-14(2)7-9-15/h6-9,16,18H,3-5,10-13H2,1-2H3
InChIKeyYBEATCYEPYZKOU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds5

About 2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide

2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide (PubChem CID 60799979) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
PubChem CID60799979
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(C)cc1)C1CCCNC1
InChIInChI=1S/C17H26N2O/c1-3-11-19(16-5-4-10-18-13-16)17(20)12-15-8-6-14(2)7-9-15/h6-9,16,18H,3-5,10-13H2,1-2H3
InChIKeyYBEATCYEPYZKOU-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873
2-cyclopentyl-N-piperidin-3-yl-N-propylacetamide
CID 60805879
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
3-methyl-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63636574
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide?
The IUPAC name of 2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide (CID 60799979) is 2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide is CCCN(C(=O)Cc1ccc(C)cc1)C1CCCNC1.
What is the InChIKey of 2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide?
The InChIKey is YBEATCYEPYZKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-11-19(16-5-4-10-18-13-16)17(20)12-15-8-6-14(2)7-9-15/h6-9,16,18H,3-5,10-13H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide?
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide has a molecular weight of 274.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide is sourced from PubChem (CID 60799979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).