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

C18H28ClN3O4 — CID 119664640

IUPAC3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)CCOc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C18H27N3O4.ClH/c19-8-2-11-24-15-5-9-21(10-6-15)17(22)7-12-25-16-4-1-3-14(13-16)18(20)23;/h1,3-4,13,15H,2,5-12,19H2,(H2,20,23);1H
InChIKeyNPKQGCFAUWFACY-UHFFFAOYSA-N
MW385.89 g/mol
LogP1.33
Rot. Bonds9

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

3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride (PubChem CID 119664640) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is 3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
PubChem CID119664640
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC Name3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)CCOc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C18H27N3O4.ClH/c19-8-2-11-24-15-5-9-21(10-6-15)17(22)7-12-25-16-4-1-3-14(13-16)18(20)23;/h1,3-4,13,15H,2,5-12,19H2,(H2,20,23);1H
InChIKeyNPKQGCFAUWFACY-UHFFFAOYSA-N
XLogP1.33
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(3-fluorophenoxy)butan-1-one;hydrochloride
CID 119663996
1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 119349211
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 119664515
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide
CID 120819165
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 119663615
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one;hydrochloride
CID 119662802
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 119664519
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2,4-dimethylphenoxy)propan-1-one
CID 119663321
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2-nitrophenoxy)propan-1-one;hydrochloride
CID 119663370
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2-bromo-4-methylphenoxy)propan-1-one;hydrochloride
CID 119664231

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
The IUPAC name of 3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride (CID 119664640) is 3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride.
What is the SMILES notation for 3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
The canonical SMILES for 3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride is Cl.NCCCOC1CCN(C(=O)CCOc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
The InChIKey is NPKQGCFAUWFACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c19-8-2-11-24-15-5-9-21(10-6-15)17(22)7-12-25-16-4-1-3-14(13-16)18(20)23;/h1,3-4,13,15H,2,5-12,19H2,(H2,20,23);1H.
What are the key properties of 3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride?
3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride is sourced from PubChem (CID 119664640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).