N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide

C19H24N4O2 — CID 89183145

IUPACN-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESC=C/C=C(\C=C/N)c1ccc(N)c(NC(=O)C2CCN(C)C(=O)C2)c1
InChIInChI=1S/C19H24N4O2/c1-3-4-13(7-9-20)14-5-6-16(21)17(11-14)22-19(25)15-8-10-23(2)18(24)12-15/h3-7,9,11,15H,1,8,10,12,20-21H2,2H3,(H,22,25)/b9-7-,13-4+
InChIKeyQKTZNROVCYBNGB-YPVRFXKISA-N
MW340.43 g/mol
LogP2.12
Rot. Bonds5

About N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide

N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 89183145) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID89183145
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESC=C/C=C(\C=C/N)c1ccc(N)c(NC(=O)C2CCN(C)C(=O)C2)c1
InChIInChI=1S/C19H24N4O2/c1-3-4-13(7-9-20)14-5-6-16(21)17(11-14)22-19(25)15-8-10-23(2)18(24)12-15/h3-7,9,11,15H,1,8,10,12,20-21H2,2H3,(H,22,25)/b9-7-,13-4+
InChIKeyQKTZNROVCYBNGB-YPVRFXKISA-N
XLogP2.12
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 89183110
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 119618709
N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 89183254
2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
CID 129467310
4-hydroxy-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 107264609
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 167805385
N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 167834230
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
1-methyl-2-oxo-N-(2-phenylmethoxy-3-pyridinyl)piperidine-4-carboxamide
CID 75461391
N-[2-amino-5-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-[(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]benzamide
CID 145031062
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618569
(4R)-1-methyl-2-oxo-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 52506157

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 89183145) is N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide is C=C/C=C(\C=C/N)c1ccc(N)c(NC(=O)C2CCN(C)C(=O)C2)c1.
What is the InChIKey of N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is QKTZNROVCYBNGB-YPVRFXKISA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-4-13(7-9-20)14-5-6-16(21)17(11-14)22-19(25)15-8-10-23(2)18(24)12-15/h3-7,9,11,15H,1,8,10,12,20-21H2,2H3,(H,22,25)/b9-7-,13-4+.
What are the key properties of N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide?
N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 89183145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).