N-(4-phenylpiperazin-1-yl)nitrous amide

C10H14N4O — CID 87189077

IUPACN-(4-phenylpiperazin-1-yl)nitrous amide
SMILESO=NNN1CCN(c2ccccc2)CC1
InChIInChI=1S/C10H14N4O/c15-12-11-14-8-6-13(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,11,15)
InChIKeyWRMGQHHMMKDKQD-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.99
Rot. Bonds3

About N-(4-phenylpiperazin-1-yl)nitrous amide

N-(4-phenylpiperazin-1-yl)nitrous amide (PubChem CID 87189077) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(4-phenylpiperazin-1-yl)nitrous amide.

Molecular Properties

Compound NameN-(4-phenylpiperazin-1-yl)nitrous amide
PubChem CID87189077
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-(4-phenylpiperazin-1-yl)nitrous amide
SMILESO=NNN1CCN(c2ccccc2)CC1
InChIInChI=1S/C10H14N4O/c15-12-11-14-8-6-13(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,11,15)
InChIKeyWRMGQHHMMKDKQD-UHFFFAOYSA-N
XLogP0.99
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(4-phenylpiperazin-1-yl)urea
CID 119088548
1-fluoro-4-phenylpiperazine
CID 23450926
N-(4-phenylpiperazin-1-yl)methanimine
CID 66881975
1-phenylpiperidine;phosphenous acid
CID 174871848
1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
CID 15946547
1-(4-phenylphenyl)aziridine
CID 152682568
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 57309013
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
2-oxo-2-(4-phenylpiperazin-1-yl)acetate
CID 2051799
1-(5-methylfuran-2-yl)-4-phenylpiperazine
CID 71103210
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylpiperazin-1-yl)nitrous amide?
The IUPAC name of N-(4-phenylpiperazin-1-yl)nitrous amide (CID 87189077) is N-(4-phenylpiperazin-1-yl)nitrous amide.
What is the SMILES notation for N-(4-phenylpiperazin-1-yl)nitrous amide?
The canonical SMILES for N-(4-phenylpiperazin-1-yl)nitrous amide is O=NNN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(4-phenylpiperazin-1-yl)nitrous amide?
The InChIKey is WRMGQHHMMKDKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c15-12-11-14-8-6-13(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,11,15).
What are the key properties of N-(4-phenylpiperazin-1-yl)nitrous amide?
N-(4-phenylpiperazin-1-yl)nitrous amide has a molecular weight of 206.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylpiperazin-1-yl)nitrous amide is sourced from PubChem (CID 87189077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).