2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide

C18H28N2O — CID 60806254

IUPAC2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)c1ccccc1)C1CCNCC1
InChIInChI=1S/C18H28N2O/c1-4-14-20(16-10-12-19-13-11-16)17(21)18(2,3)15-8-6-5-7-9-15/h5-9,16,19H,4,10-14H2,1-3H3
InChIKeyKLDFOLOQEBAXKI-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide

2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 60806254) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide
PubChem CID60806254
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)c1ccccc1)C1CCNCC1
InChIInChI=1S/C18H28N2O/c1-4-14-20(16-10-12-19-13-11-16)17(21)18(2,3)15-8-6-5-7-9-15/h5-9,16,19H,4,10-14H2,1-3H3
InChIKeyKLDFOLOQEBAXKI-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825433
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide
CID 80556057
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide
CID 102871982
N-(3-aminopropyl)-N-cyclopentyl-2-methyl-2-phenylpropanamide
CID 43136808
2-phenyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 81494194
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437610
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide (CID 60806254) is 2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)C(C)(C)c1ccccc1)C1CCNCC1.
What is the InChIKey of 2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is KLDFOLOQEBAXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-14-20(16-10-12-19-13-11-16)17(21)18(2,3)15-8-6-5-7-9-15/h5-9,16,19H,4,10-14H2,1-3H3.
What are the key properties of 2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide?
2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide is sourced from PubChem (CID 60806254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).