N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride

C16H24ClN3O3 — CID 119418982

IUPACN-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
SMILESCCC(=O)N1CCCCC1C(=O)Nc1ccc(OC)c(N)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-3-15(20)19-9-5-4-6-13(19)16(21)18-11-7-8-14(22-2)12(17)10-11;/h7-8,10,13H,3-6,9,17H2,1-2H3,(H,18,21);1H
InChIKeyUSRGDMATGOWDEZ-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.43
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119418982) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
PubChem CID119418982
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
SMILESCCC(=O)N1CCCCC1C(=O)Nc1ccc(OC)c(N)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-3-15(20)19-9-5-4-6-13(19)16(21)18-11-7-8-14(22-2)12(17)10-11;/h7-8,10,13H,3-6,9,17H2,1-2H3,(H,18,21);1H
InChIKeyUSRGDMATGOWDEZ-UHFFFAOYSA-N
XLogP2.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 65023208
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CID 119420472
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119252262
2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119254003
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55630523
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-1-propanoylpiperidine-2-carboxamide
CID 126778385
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide
CID 119419715
N-(3-amino-4-methoxyphenyl)-1,1-dioxothiane-2-carboxamide
CID 104517382
N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 119420453

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride (CID 119418982) is N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride is CCC(=O)N1CCCCC1C(=O)Nc1ccc(OC)c(N)c1.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is USRGDMATGOWDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-3-15(20)19-9-5-4-6-13(19)16(21)18-11-7-8-14(22-2)12(17)10-11;/h7-8,10,13H,3-6,9,17H2,1-2H3,(H,18,21);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119418982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).