(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride

C15H33Cl2N3O — CID 119887846

IUPAC(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride
SMILESCCC1CCCCN1CCNC(=O)[C@@H](N)CC(C)C.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-4-13-7-5-6-9-18(13)10-8-17-15(19)14(16)11-12(2)3;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H/t13?,14-;;/m0../s1
InChIKeyRQIJKMMFBVRCIS-HNYZGNTBSA-N
MW342.36 g/mol
LogP2.58
Rot. Bonds7

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

(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride (PubChem CID 119887846) has the molecular formula C15H33Cl2N3O and a molecular weight of 342.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride
PubChem CID119887846
Molecular FormulaC15H33Cl2N3O
Molecular Weight342.36 g/mol
Exact Mass341.20
IUPAC Name(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride
SMILESCCC1CCCCN1CCNC(=O)[C@@H](N)CC(C)C.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-4-13-7-5-6-9-18(13)10-8-17-15(19)14(16)11-12(2)3;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H/t13?,14-;;/m0../s1
InChIKeyRQIJKMMFBVRCIS-HNYZGNTBSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120800670
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
ethyl 2-amino-4-(2-ethylpiperidin-1-yl)butanoate
CID 63027661
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111464659
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455670
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55145067
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea
CID 21450382

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride (CID 119887846) is (2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride is CCC1CCCCN1CCNC(=O)[C@@H](N)CC(C)C.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride?
The InChIKey is RQIJKMMFBVRCIS-HNYZGNTBSA-N. The full InChI is InChI=1S/C15H31N3O.2ClH/c1-4-13-7-5-6-9-18(13)10-8-17-15(19)14(16)11-12(2)3;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H/t13?,14-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride?
(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride has a molecular weight of 342.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119887846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).