N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide

C14H20N4O2 — CID 79163310

IUPACN-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(C(N)=NO)cc2)C1
InChIInChI=1S/C14H20N4O2/c1-10-3-2-8-18(9-10)14(19)16-12-6-4-11(5-7-12)13(15)17-20/h4-7,10,20H,2-3,8-9H2,1H3,(H2,15,17)(H,16,19)
InChIKeyZRXMIPWTFZFXKT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds2

About N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide

N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide (PubChem CID 79163310) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide
PubChem CID79163310
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(C(N)=NO)cc2)C1
InChIInChI=1S/C14H20N4O2/c1-10-3-2-8-18(9-10)14(19)16-12-6-4-11(5-7-12)13(15)17-20/h4-7,10,20H,2-3,8-9H2,1H3,(H2,15,17)(H,16,19)
InChIKeyZRXMIPWTFZFXKT-UHFFFAOYSA-N
XLogP2.04
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
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

N-[4-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
CID 79161552
N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide
CID 77002526
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 86665076
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide
CID 6219246
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271

Frequently Asked Questions

What is the IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide (CID 79163310) is N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2ccc(C(N)=NO)cc2)C1.
What is the InChIKey of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is ZRXMIPWTFZFXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-3-2-8-18(9-10)14(19)16-12-6-4-11(5-7-12)13(15)17-20/h4-7,10,20H,2-3,8-9H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide?
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79163310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).