N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride

C19H24ClN3O3 — CID 119771763

IUPACN-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3cccc(N)c3)CC2)c(C)o1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-12-10-17(13(2)25-12)18(23)21-16-6-8-22(9-7-16)19(24)14-4-3-5-15(20)11-14;/h3-5,10-11,16H,6-9,20H2,1-2H3,(H,21,23);1H
InChIKeyAWYGVVVJMOUQTM-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.94
Rot. Bonds3

About N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride

N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride (PubChem CID 119771763) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
PubChem CID119771763
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3cccc(N)c3)CC2)c(C)o1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-12-10-17(13(2)25-12)18(23)21-16-6-8-22(9-7-16)19(24)14-4-3-5-15(20)11-14;/h3-5,10-11,16H,6-9,20H2,1-2H3,(H,21,23);1H
InChIKeyAWYGVVVJMOUQTM-UHFFFAOYSA-N
XLogP2.94
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.94
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

3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119770082
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316682
2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
CID 99816350
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316694
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771781
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 120988801
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119044723
4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 71879750
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551397

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride (CID 119771763) is N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CCN(C(=O)c3cccc(N)c3)CC2)c(C)o1.Cl.
What is the InChIKey of N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
The InChIKey is AWYGVVVJMOUQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-12-10-17(13(2)25-12)18(23)21-16-6-8-22(9-7-16)19(24)14-4-3-5-15(20)11-14;/h3-5,10-11,16H,6-9,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119771763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).