2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride

C18H31Cl2N3O — CID 119885023

IUPAC2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
SMILESCCN1CCC(CCNC(=O)C(N)Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-2-21-12-9-15(10-13-21)8-11-20-18(22)17(19)14-16-6-4-3-5-7-16;;/h3-7,15,17H,2,8-14,19H2,1H3,(H,20,22);2*1H
InChIKeyNNQWZCYKSOELKE-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.64
Rot. Bonds7

About 2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119885023) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119885023
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
SMILESCCN1CCC(CCNC(=O)C(N)Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-2-21-12-9-15(10-13-21)8-11-20-18(22)17(19)14-16-6-4-3-5-7-16;;/h3-7,15,17H,2,8-14,19H2,1H3,(H,20,22);2*1H
InChIKeyNNQWZCYKSOELKE-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119885013
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
CID 119290183
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703
2-amino-3-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854666
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride (CID 119885023) is 2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride is CCN1CCC(CCNC(=O)C(N)Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is NNQWZCYKSOELKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-2-21-12-9-15(10-13-21)8-11-20-18(22)17(19)14-16-6-4-3-5-7-16;;/h3-7,15,17H,2,8-14,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119885023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).