4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride

C17H26ClN3O3 — CID 119435674

IUPAC4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)CCOc1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-12(18)15-4-2-3-10-20(15)16(21)9-11-23-14-7-5-13(6-8-14)17(19)22;/h5-8,12,15H,2-4,9-11,18H2,1H3,(H2,19,22);1H
InChIKeyDWWXXPKYMPBLAU-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.70
Rot. Bonds6

About 4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride

4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride (PubChem CID 119435674) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
PubChem CID119435674
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)CCOc1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-12(18)15-4-2-3-10-20(15)16(21)9-11-23-14-7-5-13(6-8-14)17(19)22;/h5-8,12,15H,2-4,9-11,18H2,1H3,(H2,19,22);1H
InChIKeyDWWXXPKYMPBLAU-UHFFFAOYSA-N
XLogP1.70
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 119435438
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-methylsulfonylphenoxy)butan-1-one;hydrochloride
CID 119437669
4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 119632269
4-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119649902
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119436726
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2-bromo-4-methylphenoxy)propan-1-one
CID 119437251
1-[2-(1-aminoethyl)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119435582
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-chlorophenyl)butane-1,4-dione
CID 119436666
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119437566
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-chlorophenoxy)butan-1-one
CID 119437699
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)ethanone;hydrochloride
CID 119436187

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
The IUPAC name of 4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride (CID 119435674) is 4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride.
What is the SMILES notation for 4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
The canonical SMILES for 4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride is CC(N)C1CCCCN1C(=O)CCOc1ccc(C(N)=O)cc1.Cl.
What is the InChIKey of 4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
The InChIKey is DWWXXPKYMPBLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-12(18)15-4-2-3-10-20(15)16(21)9-11-23-14-7-5-13(6-8-14)17(19)22;/h5-8,12,15H,2-4,9-11,18H2,1H3,(H2,19,22);1H.
What are the key properties of 4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride is sourced from PubChem (CID 119435674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).