3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride

C16H24ClN3O3 — CID 120557025

IUPAC3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCOc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-11-10-18-7-5-14(11)19-15(20)6-8-22-13-4-2-3-12(9-13)16(17)21;/h2-4,9,11,14,18H,5-8,10H2,1H3,(H2,17,21)(H,19,20);1H
InChIKeyZIVZZYCGNUYMDU-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.09
Rot. Bonds6

About 3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride

3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride (PubChem CID 120557025) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
PubChem CID120557025
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCOc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-11-10-18-7-5-14(11)19-15(20)6-8-22-13-4-2-3-12(9-13)16(17)21;/h2-4,9,11,14,18H,5-8,10H2,1H3,(H2,17,21)(H,19,20);1H
InChIKeyZIVZZYCGNUYMDU-UHFFFAOYSA-N
XLogP1.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
CID 119454270
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
CID 119390379
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride?
The IUPAC name of 3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride (CID 120557025) is 3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride.
What is the SMILES notation for 3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride?
The canonical SMILES for 3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride is CC1CNCCC1NC(=O)CCOc1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride?
The InChIKey is ZIVZZYCGNUYMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-11-10-18-7-5-14(11)19-15(20)6-8-22-13-4-2-3-12(9-13)16(17)21;/h2-4,9,11,14,18H,5-8,10H2,1H3,(H2,17,21)(H,19,20);1H.
What are the key properties of 3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride?
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride is sourced from PubChem (CID 120557025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).