N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine

C21H27N5O — CID 143172366

IUPACN-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine
SMILESC=C(NO)c1cnc(N2CCN(C(/C=C/c3ccccc3)CC)CC2)nc1
InChIInChI=1S/C21H27N5O/c1-3-20(10-9-18-7-5-4-6-8-18)25-11-13-26(14-12-25)21-22-15-19(16-23-21)17(2)24-27/h4-10,15-16,20,24,27H,2-3,11-14H2,1H3/b10-9+
InChIKeySEPURZPXANKBFY-MDZDMXLPSA-N
MW365.48 g/mol
LogP3.04
Rot. Bonds7

About N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine

N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine (PubChem CID 143172366) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine
PubChem CID143172366
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine
SMILESC=C(NO)c1cnc(N2CCN(C(/C=C/c3ccccc3)CC)CC2)nc1
InChIInChI=1S/C21H27N5O/c1-3-20(10-9-18-7-5-4-6-8-18)25-11-13-26(14-12-25)21-22-15-19(16-23-21)17(2)24-27/h4-10,15-16,20,24,27H,2-3,11-14H2,1H3/b10-9+
InChIKeySEPURZPXANKBFY-MDZDMXLPSA-N
XLogP3.04
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 143172396
S-ethyl 2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carbothioate
CID 143172385
ethyl 2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 58450434
ethyl 2-[4-[(E)-1-morpholin-4-yl-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 58450444
2-[4-[(E)-4-(4-chlorophenyl)-1-hydroxybut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 46225969
2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 58896212
2-[4-(1-hydroxy-4-phenylbut-3-en-2-yl)piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 76789333
2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 58896200
(E)-7-hydroxy-3-[4-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperazin-1-yl]-1-phenylhept-1-en-4-one
CID 58450438
2-[4-[4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 76789353
(Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine
CID 82042444
2-[4-[(E,2S)-4-cyclohexa-1,5-dien-1-yl-1-hydroxybut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 143172402

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine?
The IUPAC name of N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine (CID 143172366) is N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine.
What is the SMILES notation for N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine?
The canonical SMILES for N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine is C=C(NO)c1cnc(N2CCN(C(/C=C/c3ccccc3)CC)CC2)nc1.
What is the InChIKey of N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine?
The InChIKey is SEPURZPXANKBFY-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H27N5O/c1-3-20(10-9-18-7-5-4-6-8-18)25-11-13-26(14-12-25)21-22-15-19(16-23-21)17(2)24-27/h4-10,15-16,20,24,27H,2-3,11-14H2,1H3/b10-9+.
What are the key properties of N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine?
N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine has a molecular weight of 365.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine is sourced from PubChem (CID 143172366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).