2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride

C17H28ClN3O — CID 119920377

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)NC(C)c2ccccc2)C1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13(15-8-5-4-6-9-15)19-17(21)14(2)20-11-7-10-16(12-20)18-3;/h4-6,8-9,13-14,16,18H,7,10-12H2,1-3H3,(H,19,21);1H
InChIKeyKAPKTKRGXQRDMS-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.36
Rot. Bonds5

About 2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride

2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride (PubChem CID 119920377) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
PubChem CID119920377
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)NC(C)c2ccccc2)C1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13(15-8-5-4-6-9-15)19-17(21)14(2)20-11-7-10-16(12-20)18-3;/h4-6,8-9,13-14,16,18H,7,10-12H2,1-3H3,(H,19,21);1H
InChIKeyKAPKTKRGXQRDMS-UHFFFAOYSA-N
XLogP2.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
ethyl (3R)-1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidine-3-carboxylate
CID 27069320
N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
CID 112818881
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
(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
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride (CID 119920377) is 2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride is CNC1CCCN(C(C)C(=O)NC(C)c2ccccc2)C1.Cl.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride?
The InChIKey is KAPKTKRGXQRDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-13(15-8-5-4-6-9-15)19-17(21)14(2)20-11-7-10-16(12-20)18-3;/h4-6,8-9,13-14,16,18H,7,10-12H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride?
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119920377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).