2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine

C9H18N4O — CID 64667638

IUPAC2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine
SMILESCC/N=C(\N)NC1CCC(=O)N(C)C1
InChIInChI=1S/C9H18N4O/c1-3-11-9(10)12-7-4-5-8(14)13(2)6-7/h7H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyNFMZCIPOQXVLSX-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.47
Rot. Bonds2

About 2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine

2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine (PubChem CID 64667638) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine
PubChem CID64667638
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine
SMILESCC/N=C(\N)NC1CCC(=O)N(C)C1
InChIInChI=1S/C9H18N4O/c1-3-11-9(10)12-7-4-5-8(14)13(2)6-7/h7H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyNFMZCIPOQXVLSX-UHFFFAOYSA-N
XLogP-0.47
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.47
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-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64836587
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea
CID 115641119
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide
CID 64668462
3-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64667203
1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119155463
4-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide
CID 114429128
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
(2R)-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 103796815
2-(ethylamino)-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64669408
N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide
CID 77055284
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine?
The IUPAC name of 2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine (CID 64667638) is 2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine.
What is the SMILES notation for 2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine?
The canonical SMILES for 2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine is CC/N=C(\N)NC1CCC(=O)N(C)C1.
What is the InChIKey of 2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine?
The InChIKey is NFMZCIPOQXVLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-11-9(10)12-7-4-5-8(14)13(2)6-7/h7H,3-6H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine?
2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine has a molecular weight of 198.27 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine is sourced from PubChem (CID 64667638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).