methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate

C10H16N2O3 — CID 103252994

IUPACmethyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate
SMILESCOC(=O)/C=C/NC1CCC(=O)N(C)C1
InChIInChI=1S/C10H16N2O3/c1-12-7-8(3-4-9(12)13)11-6-5-10(14)15-2/h5-6,8,11H,3-4,7H2,1-2H3/b6-5+
InChIKeyJFROOKRFJWQYGD-AATRIKPKSA-N
MW212.25 g/mol
LogP-0.12
Rot. Bonds3

About methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate

methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate (PubChem CID 103252994) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate
PubChem CID103252994
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate
SMILESCOC(=O)/C=C/NC1CCC(=O)N(C)C1
InChIInChI=1S/C10H16N2O3/c1-12-7-8(3-4-9(12)13)11-6-5-10(14)15-2/h5-6,8,11H,3-4,7H2,1-2H3/b6-5+
InChIKeyJFROOKRFJWQYGD-AATRIKPKSA-N
XLogP-0.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoic acid
CID 103252998
methyl (E)-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]prop-2-enoate
CID 106257568
methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate
CID 112617343
5-[(3-methoxycyclobutyl)amino]-1-methylpiperidin-2-one
CID 104871603
methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate
CID 79624900
1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
CID 64655130
methyl (E)-3-[(1,1-dioxothian-4-yl)amino]prop-2-enoate
CID 103239273
1-methyl-5-(3-methylbut-2-enylamino)piperidin-2-one
CID 106547211
2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64669418
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
5-(cyclobutylamino)-1-methylpiperidin-2-one
CID 64655743
1-methyl-5-(prop-2-enylamino)piperidin-2-one
CID 64656943

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate (CID 103252994) is methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate is COC(=O)/C=C/NC1CCC(=O)N(C)C1.
What is the InChIKey of methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate?
The InChIKey is JFROOKRFJWQYGD-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12-7-8(3-4-9(12)13)11-6-5-10(14)15-2/h5-6,8,11H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate?
methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate has a molecular weight of 212.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate is sourced from PubChem (CID 103252994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).