2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide

C9H18N4O — CID 79154110

IUPAC2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C1CCCCN1C(=O)N(C)C
InChIInChI=1S/C9H18N4O/c1-12(2)9(14)13-6-4-3-5-7(13)8(10)11/h7H,3-6H2,1-2H3,(H3,10,11)
InChIKeySNLQHZJKMUSJNI-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.46
Rot. Bonds1

About 2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide

2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 79154110) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide
PubChem CID79154110
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C1CCCCN1C(=O)N(C)C
InChIInChI=1S/C9H18N4O/c1-12(2)9(14)13-6-4-3-5-7(13)8(10)11/h7H,3-6H2,1-2H3,(H3,10,11)
InChIKeySNLQHZJKMUSJNI-UHFFFAOYSA-N
XLogP0.46
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.46
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

1-N,1-N-diethylpiperidine-1,2-dicarboxamide
CID 115583146
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
CID 63645478
N,N-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 115575763
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
1-[2-(dimethylamino)acetyl]piperidine-2-carboxylic acid
CID 79018258
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
N-benzyl-2-carbamimidoylpyrrolidine-1-carboxamide
CID 107654638
2-carbamothioyl-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79159265
N,N-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 115593303
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
1-(4-dodecylbenzoyl)pyrrolidine-2-carboximidamide
CID 75581341
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide (CID 79154110) is 2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide is [H]/N=C(\N)C1CCCCN1C(=O)N(C)C.
What is the InChIKey of 2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is SNLQHZJKMUSJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-12(2)9(14)13-6-4-3-5-7(13)8(10)11/h7H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide?
2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 79154110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).