2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride

C19H29ClN4O2 — CID 119919119

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-14(22-10-4-7-16(13-22)20-2)19(25)21-15-6-3-8-17(12-15)23-11-5-9-18(23)24;/h3,6,8,12,14,16,20H,4-5,7,9-11,13H2,1-2H3,(H,21,25);1H
InChIKeyZFYLUHNEIAFVQC-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.25
Rot. Bonds5

About 2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride

2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride (PubChem CID 119919119) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
PubChem CID119919119
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-14(22-10-4-7-16(13-22)20-2)19(25)21-15-6-3-8-17(12-15)23-11-5-9-18(23)24;/h3,6,8,12,14,16,20H,4-5,7,9-11,13H2,1-2H3,(H,21,25);1H
InChIKeyZFYLUHNEIAFVQC-UHFFFAOYSA-N
XLogP2.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918800
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 47020354
2-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119918280
methyl 5-(aminomethyl)-2-[1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]propan-2-yl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylate;dihydrochloride
CID 167791008
2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 116677234
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 119918874
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride (CID 119919119) is 2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride is CNC1CCCN(C(C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1.Cl.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The InChIKey is ZFYLUHNEIAFVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-14(22-10-4-7-16(13-22)20-2)19(25)21-15-6-3-8-17(12-15)23-11-5-9-18(23)24;/h3,6,8,12,14,16,20H,4-5,7,9-11,13H2,1-2H3,(H,21,25);1H.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119919119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).