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

C14H31Cl2N3O2 — CID 120596855

IUPAC4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
SMILESCCN1CCC(CCNC(=O)CC(CN)OC)CC1.Cl.Cl
InChIInChI=1S/C14H29N3O2.2ClH/c1-3-17-8-5-12(6-9-17)4-7-16-14(18)10-13(11-15)19-2;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);2*1H
InChIKeyBWNIQDUVYYTIBU-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.43
Rot. Bonds8

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

4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120596855) has the molecular formula C14H31Cl2N3O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is 4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
PubChem CID120596855
Molecular FormulaC14H31Cl2N3O2
Molecular Weight344.33 g/mol
Exact Mass343.18
IUPAC Name4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
SMILESCCN1CCC(CCNC(=O)CC(CN)OC)CC1.Cl.Cl
InChIInChI=1S/C14H29N3O2.2ClH/c1-3-17-8-5-12(6-9-17)4-7-16-14(18)10-13(11-15)19-2;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);2*1H
InChIKeyBWNIQDUVYYTIBU-UHFFFAOYSA-N
XLogP1.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672
2-(1-ethylpiperidin-4-yl)ethylurea
CID 90844616
N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119885076
N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(methylamino)acetamide
CID 120704735
4-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120596615
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide
CID 119885020
4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
CID 120597557
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111508190
4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
CID 120595508
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119885013

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride (CID 120596855) is 4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride is CCN1CCC(CCNC(=O)CC(CN)OC)CC1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is BWNIQDUVYYTIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2.2ClH/c1-3-17-8-5-12(6-9-17)4-7-16-14(18)10-13(11-15)19-2;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 344.33 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120596855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).