1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide

C19H25N5O2 — CID 166299167

IUPAC1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CCCN(CCN)C3=O)cc2)c1C
InChIInChI=1S/C19H25N5O2/c1-13-14(2)24(12-21-13)16-7-5-15(6-8-16)22-18(25)17-4-3-10-23(11-9-20)19(17)26/h5-8,12,17H,3-4,9-11,20H2,1-2H3,(H,22,25)
InChIKeyNXEVDJQKLGMJIC-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.62
Rot. Bonds5

About 1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide

1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide (PubChem CID 166299167) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide
PubChem CID166299167
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CCCN(CCN)C3=O)cc2)c1C
InChIInChI=1S/C19H25N5O2/c1-13-14(2)24(12-21-13)16-7-5-15(6-8-16)22-18(25)17-4-3-10-23(11-9-20)19(17)26/h5-8,12,17H,3-4,9-11,20H2,1-2H3,(H,22,25)
InChIKeyNXEVDJQKLGMJIC-UHFFFAOYSA-N
XLogP1.62
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 166215680
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 166285379
1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide
CID 166215537
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide
CID 166259664
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-methylsulfonylcyclohexane-1-carboxamide
CID 166251163
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide
CID 166278294
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 166248205
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
1-amino-3-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclobutane-1-carboxamide
CID 166299186

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide (CID 166299167) is 1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide is Cc1ncn(-c2ccc(NC(=O)C3CCCN(CCN)C3=O)cc2)c1C.
What is the InChIKey of 1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide?
The InChIKey is NXEVDJQKLGMJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-14(2)24(12-21-13)16-7-5-15(6-8-16)22-18(25)17-4-3-10-23(11-9-20)19(17)26/h5-8,12,17H,3-4,9-11,20H2,1-2H3,(H,22,25).
What are the key properties of 1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide?
1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 166299167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).