(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride

C11H25Cl2N3O — CID 119834930

IUPAC(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCCCN1CCC(NC(=O)[C@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-3-6-14-7-4-10(5-8-14)13-11(15)9(2)12;;/h9-10H,3-8,12H2,1-2H3,(H,13,15);2*1H/t9-;;/m0../s1
InChIKeyIUCIIOSFELVBDU-WWPIYYJJSA-N
MW286.25 g/mol
LogP1.17
Rot. Bonds4

About (2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride

(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride (PubChem CID 119834930) has the molecular formula C11H25Cl2N3O and a molecular weight of 286.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
PubChem CID119834930
Molecular FormulaC11H25Cl2N3O
Molecular Weight286.25 g/mol
Exact Mass285.14
IUPAC Name(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCCCN1CCC(NC(=O)[C@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-3-6-14-7-4-10(5-8-14)13-11(15)9(2)12;;/h9-10H,3-8,12H2,1-2H3,(H,13,15);2*1H/t9-;;/m0../s1
InChIKeyIUCIIOSFELVBDU-WWPIYYJJSA-N
XLogP1.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
2-amino-N-(1-propylpiperidin-4-yl)butanediamide
CID 61275785
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650
(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
CID 61173353
2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43401252
3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834906
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride (CID 119834930) is (2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride is CCCN1CCC(NC(=O)[C@H](C)N)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride?
The InChIKey is IUCIIOSFELVBDU-WWPIYYJJSA-N. The full InChI is InChI=1S/C11H23N3O.2ClH/c1-3-6-14-7-4-10(5-8-14)13-11(15)9(2)12;;/h9-10H,3-8,12H2,1-2H3,(H,13,15);2*1H/t9-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride?
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride has a molecular weight of 286.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119834930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).