(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride

C17H29Cl2N3O — CID 119851464

IUPAC(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
SMILESCC(CN1CCCCC1)NC(=O)[C@@H](N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-14(13-20-10-6-3-7-11-20)19-17(21)16(18)12-15-8-4-2-5-9-15;;/h2,4-5,8-9,14,16H,3,6-7,10-13,18H2,1H3,(H,19,21);2*1H/t14?,16-;;/m0../s1
InChIKeyLOWRKEVBGJJRIC-ROEXULCBSA-N
MW362.35 g/mol
LogP2.39
Rot. Bonds6

About (2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride

(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride (PubChem CID 119851464) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
PubChem CID119851464
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
SMILESCC(CN1CCCCC1)NC(=O)[C@@H](N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-14(13-20-10-6-3-7-11-20)19-17(21)16(18)12-15-8-4-2-5-9-15;;/h2,4-5,8-9,14,16H,3,6-7,10-13,18H2,1H3,(H,19,21);2*1H/t14?,16-;;/m0../s1
InChIKeyLOWRKEVBGJJRIC-ROEXULCBSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 43695355
(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119298734
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
CID 119953137
2-amino-N-(2-methyl-3-morpholin-4-ylpropyl)-3-phenylpropanamide;dihydrochloride
CID 119868997
2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 81088313
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
2-amino-3-phenyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 61017950
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride (CID 119851464) is (2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride is CC(CN1CCCCC1)NC(=O)[C@@H](N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride?
The InChIKey is LOWRKEVBGJJRIC-ROEXULCBSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-14(13-20-10-6-3-7-11-20)19-17(21)16(18)12-15-8-4-2-5-9-15;;/h2,4-5,8-9,14,16H,3,6-7,10-13,18H2,1H3,(H,19,21);2*1H/t14?,16-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride?
(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119851464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).