N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide

C15H22N4O — CID 70653799

IUPACN-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide
SMILES[H]/N=C(\N)N1CCC(NC(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C15H22N4O/c1-2-11-3-5-12(6-4-11)14(20)18-13-7-9-19(10-8-13)15(16)17/h3-6,13H,2,7-10H2,1H3,(H3,16,17)(H,18,20)
InChIKeyXAOFDEOPGVJINE-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.34
Rot. Bonds3

About N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide

N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide (PubChem CID 70653799) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide
PubChem CID70653799
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide
SMILES[H]/N=C(\N)N1CCC(NC(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C15H22N4O/c1-2-11-3-5-12(6-4-11)14(20)18-13-7-9-19(10-8-13)15(16)17/h3-6,13H,2,7-10H2,1H3,(H3,16,17)(H,18,20)
InChIKeyXAOFDEOPGVJINE-UHFFFAOYSA-N
XLogP1.34
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.34
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

ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide
CID 75373623
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038111
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide
CID 70653753
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46156215
4-[(1-acetylpiperidin-4-yl)methyl]-N-cyclopropylbenzamide
CID 110198053
N-[1-[[(2R)-1-[(1-carbamimidoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]benzamide
CID 68540879
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide?
The IUPAC name of N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide (CID 70653799) is N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide?
The canonical SMILES for N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide is [H]/N=C(\N)N1CCC(NC(=O)c2ccc(CC)cc2)CC1.
What is the InChIKey of N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide?
The InChIKey is XAOFDEOPGVJINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-11-3-5-12(6-4-11)14(20)18-13-7-9-19(10-8-13)15(16)17/h3-6,13H,2,7-10H2,1H3,(H3,16,17)(H,18,20).
What are the key properties of N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide?
N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide has a molecular weight of 274.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide is sourced from PubChem (CID 70653799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).