4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide

C13H18N4O2 — CID 77038685

IUPAC4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide
SMILESNC(=NO)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H18N4O2/c14-12(16-19)10-6-8-17(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10,19H,6-9H2,(H2,14,16)(H,15,18)
InChIKeyFRLVXPGHEBQWOH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.68
Rot. Bonds2

About 4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide

4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide (PubChem CID 77038685) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide
PubChem CID77038685
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide
SMILESNC(=NO)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H18N4O2/c14-12(16-19)10-6-8-17(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10,19H,6-9H2,(H2,14,16)(H,15,18)
InChIKeyFRLVXPGHEBQWOH-UHFFFAOYSA-N
XLogP1.68
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
4-azido-N-phenylpiperidine-1-carboxamide
CID 150312406
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120819466
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694

Frequently Asked Questions

What is the IUPAC name of 4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide (CID 77038685) is 4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide is NC(=NO)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is FRLVXPGHEBQWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-12(16-19)10-6-8-17(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10,19H,6-9H2,(H2,14,16)(H,15,18).
What are the key properties of 4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide?
4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 77038685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).