N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide

C13H20N4O — CID 54091291

IUPACN-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide
SMILESNN(C=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N4O/c14-17(12-18)11-8-15-6-9-16(10-7-15)13-4-2-1-3-5-13/h1-5,12H,6-11,14H2
InChIKeyHENXOJDYMOIEEF-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.14
Rot. Bonds5

About N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide

N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide (PubChem CID 54091291) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide
PubChem CID54091291
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide
SMILESNN(C=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N4O/c14-17(12-18)11-8-15-6-9-16(10-7-15)13-4-2-1-3-5-13/h1-5,12H,6-11,14H2
InChIKeyHENXOJDYMOIEEF-UHFFFAOYSA-N
XLogP0.14
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
CID 119903413
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119903379
4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 91828439
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119903422
tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 176742069
1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
CID 141293309
N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine
CID 133418164
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
3-[3-(4-phenylpiperazin-1-yl)propylamino]benzaldehyde
CID 90656691
1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 82071142
3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol
CID 90656671

Frequently Asked Questions

What is the IUPAC name of N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide?
The IUPAC name of N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide (CID 54091291) is N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide.
What is the SMILES notation for N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide?
The canonical SMILES for N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide is NN(C=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide?
The InChIKey is HENXOJDYMOIEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-17(12-18)11-8-15-6-9-16(10-7-15)13-4-2-1-3-5-13/h1-5,12H,6-11,14H2.
What are the key properties of N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide?
N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide has a molecular weight of 248.33 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide is sourced from PubChem (CID 54091291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).