2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide

C17H26N2O — CID 46800680

IUPAC2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
SMILESCC1CCCN(C(C)C(=O)NC(C)c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-13-8-7-11-19(12-13)15(3)17(20)18-14(2)16-9-5-4-6-10-16/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,18,20)
InChIKeyUOHISVPAGBTVIK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.98
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide

2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide (PubChem CID 46800680) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
PubChem CID46800680
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
SMILESCC1CCCN(C(C)C(=O)NC(C)c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-13-8-7-11-19(12-13)15(3)17(20)18-14(2)16-9-5-4-6-10-16/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,18,20)
InChIKeyUOHISVPAGBTVIK-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
ethyl (3R)-1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidine-3-carboxylate
CID 27069320
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
(2R)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 124859531
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 71939627
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide (CID 46800680) is 2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide is CC1CCCN(C(C)C(=O)NC(C)c2ccccc2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is UOHISVPAGBTVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-8-7-11-19(12-13)15(3)17(20)18-14(2)16-9-5-4-6-10-16/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,18,20).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide?
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 46800680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).