2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide

C10H19N3O — CID 63177071

IUPAC2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide
SMILESCC(C)(C)/C(N)=N/C1CCCNC1=O
InChIInChI=1S/C10H19N3O/c1-10(2,3)9(11)13-7-5-4-6-12-8(7)14/h7H,4-6H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyHCQLIRXMKIIFCC-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.67
Rot. Bonds1

About 2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide

2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide (PubChem CID 63177071) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide
PubChem CID63177071
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide
SMILESCC(C)(C)/C(N)=N/C1CCCNC1=O
InChIInChI=1S/C10H19N3O/c1-10(2,3)9(11)13-7-5-4-6-12-8(7)14/h7H,4-6H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyHCQLIRXMKIIFCC-UHFFFAOYSA-N
XLogP0.67
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2,2-dimethyl-N'-(6-oxopiperidin-3-yl)propanimidamide
CID 63662880
1-methyl-1-(2-oxopiperidin-3-yl)urea
CID 130678600
2-amino-2-methyl-N-(2-oxopiperidin-3-yl)propanamide
CID 62092380
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
acetic acid;3-aminopiperidin-2-one
CID 139269691
(3S)-3-hydroxypiperidin-2-one;hydrochloride
CID 154574764
(4S)-4-amino-3-hydroxyazepan-2-one
CID 130420309
3-amino-2,2,3-trimethyl-N-(2-oxopiperidin-3-yl)butanamide
CID 65266745
3,3-dimethylbutan-2-one;3-(2,2-dimethylpropyl)piperidin-2-one;3-(2,2-dimethylpropyl)pyrrolidin-2-one
CID 162064096
(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide
CID 162479477
diethyl 2-[[(3R)-2-oxoazepan-3-yl]iminomethyl]propanedioate
CID 7176994
3-[(2-acetyl-3-hydroxybut-2-enylidene)amino]azepan-2-one
CID 135495008

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide (CID 63177071) is 2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide is CC(C)(C)/C(N)=N/C1CCCNC1=O.
What is the InChIKey of 2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide?
The InChIKey is HCQLIRXMKIIFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,3)9(11)13-7-5-4-6-12-8(7)14/h7H,4-6H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of 2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide?
2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide has a molecular weight of 197.28 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide is sourced from PubChem (CID 63177071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).