2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide

C12H23N5O2 — CID 119158441

IUPAC2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide
SMILESC/N=C(\NCC(=O)NC(C)C)NC1CCC(=O)NC1
InChIInChI=1S/C12H23N5O2/c1-8(2)16-11(19)7-15-12(13-3)17-9-4-5-10(18)14-6-9/h8-9H,4-7H2,1-3H3,(H,14,18)(H,16,19)(H2,13,15,17)
InChIKeyICBVOCKMOVMXDJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP-1.05
Rot. Bonds4

About 2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide

2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide (PubChem CID 119158441) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide
PubChem CID119158441
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide
SMILESC/N=C(\NCC(=O)NC(C)C)NC1CCC(=O)NC1
InChIInChI=1S/C12H23N5O2/c1-8(2)16-11(19)7-15-12(13-3)17-9-4-5-10(18)14-6-9/h8-9H,4-7H2,1-3H3,(H,14,18)(H,16,19)(H2,13,15,17)
InChIKeyICBVOCKMOVMXDJ-UHFFFAOYSA-N
XLogP-1.05
TPSA94.62 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
CID 119153908
2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158353
2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158319
2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylethyl)guanidine
CID 119153906
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methyl-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119155076
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119150643
1-[(3-hydroxythiolan-3-yl)methyl]-2-methyl-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119162139
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
CID 119159768
1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119157103
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155071
3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 55233082

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide (CID 119158441) is 2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide is C/N=C(\NCC(=O)NC(C)C)NC1CCC(=O)NC1.
What is the InChIKey of 2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide?
The InChIKey is ICBVOCKMOVMXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-8(2)16-11(19)7-15-12(13-3)17-9-4-5-10(18)14-6-9/h8-9H,4-7H2,1-3H3,(H,14,18)(H,16,19)(H2,13,15,17).
What are the key properties of 2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide?
2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide has a molecular weight of 269.35 g/mol, XLogP of -1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 119158441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).