3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride

C21H26ClN3O2 — CID 119724509

IUPAC3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1cccc(N2CCCCC2=O)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-15(20(22)16-8-3-2-4-9-16)21(26)23-17-10-7-11-18(14-17)24-13-6-5-12-19(24)25;/h2-4,7-11,14-15,20H,5-6,12-13,22H2,1H3,(H,23,26);1H
InChIKeyVIFMTECBNDPMHZ-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.90
Rot. Bonds5

About 3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride

3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119724509) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride
PubChem CID119724509
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1cccc(N2CCCCC2=O)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-15(20(22)16-8-3-2-4-9-16)21(26)23-17-10-7-11-18(14-17)24-13-6-5-12-19(24)25;/h2-4,7-11,14-15,20H,5-6,12-13,22H2,1H3,(H,23,26);1H
InChIKeyVIFMTECBNDPMHZ-UHFFFAOYSA-N
XLogP3.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide
CID 119724510
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
3-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119755987
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
3-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119699391
(2R)-2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 124626736
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290019
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119678167

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride (CID 119724509) is 3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride is CC(C(=O)Nc1cccc(N2CCCCC2=O)c1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is VIFMTECBNDPMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-15(20(22)16-8-3-2-4-9-16)21(26)23-17-10-7-11-18(14-17)24-13-6-5-12-19(24)25;/h2-4,7-11,14-15,20H,5-6,12-13,22H2,1H3,(H,23,26);1H.
What are the key properties of 3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119724509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).