4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide

C12H22N4O — CID 107162744

IUPAC4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C1(C)CCN(C(=O)NC2CCC2)CC1
InChIInChI=1S/C12H22N4O/c1-12(10(13)14)5-7-16(8-6-12)11(17)15-9-3-2-4-9/h9H,2-8H2,1H3,(H3,13,14)(H,15,17)
InChIKeyWESWASDNOICJMA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.29
Rot. Bonds2

About 4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide

4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide (PubChem CID 107162744) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide
PubChem CID107162744
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C1(C)CCN(C(=O)NC2CCC2)CC1
InChIInChI=1S/C12H22N4O/c1-12(10(13)14)5-7-16(8-6-12)11(17)15-9-3-2-4-9/h9H,2-8H2,1H3,(H3,13,14)(H,15,17)
InChIKeyWESWASDNOICJMA-UHFFFAOYSA-N
XLogP1.29
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.29
H-Bond Donors ≤ 53
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

4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 107162764
1-(4-Carbamimidoyl-1-methylpiperidin-4-yl)-3-propylurea
CID 64407036
1-(4-Carbamimidoyl-1-methylpiperidin-4-yl)-3-propan-2-ylurea
CID 64407238
1-(4-Carbamimidoyl-1-methylpiperidin-4-yl)-3-ethylurea
CID 64407239
1-Butyl-3-(4-carbamimidoyl-1-methylpiperidin-4-yl)urea
CID 64407867
4-carbamimidoyl-N-cyclopropylpiperidine-1-carboxamide
CID 64426313
4-carbamimidoyl-N-propylpiperidine-1-carboxamide
CID 64426708
4-carbamimidoyl-N-propan-2-ylpiperidine-1-carboxamide
CID 64426910
N-butyl-4-carbamimidoylpiperidine-1-carboxamide
CID 64427104
N-tert-butyl-4-carbamimidoylpiperidine-1-carboxamide
CID 64427107
4-carbamimidoyl-N-ethylpiperidine-1-carboxamide
CID 64427301
3-carbamimidoyl-N-propan-2-ylpiperidine-1-carboxamide
CID 64444103

Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide (CID 107162744) is 4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide is [H]/N=C(\N)C1(C)CCN(C(=O)NC2CCC2)CC1.
What is the InChIKey of 4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide?
The InChIKey is WESWASDNOICJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(10(13)14)5-7-16(8-6-12)11(17)15-9-3-2-4-9/h9H,2-8H2,1H3,(H3,13,14)(H,15,17).
What are the key properties of 4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide?
4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 107162744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).