(2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide

C25H33N5O2 — CID 142855441

IUPAC(2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide
SMILES[H]/N=C(C)/C(=N\Nc1cccc(O)c1)C(=O)NCCN1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C25H33N5O2/c1-19(26)24(29-28-22-8-5-9-23(31)18-22)25(32)27-14-17-30-15-12-21(13-16-30)11-10-20-6-3-2-4-7-20/h2-9,18,21,26,28,31H,10-17H2,1H3,(H,27,32)/b26-19+,29-24+
InChIKeyYRDNQTBWSSOVSC-NUOVBGLQSA-N
MW435.57 g/mol
LogP3.66
Rot. Bonds10

About (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide

(2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide (PubChem CID 142855441) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name(2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide
PubChem CID142855441
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name(2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide
SMILES[H]/N=C(C)/C(=N\Nc1cccc(O)c1)C(=O)NCCN1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C25H33N5O2/c1-19(26)24(29-28-22-8-5-9-23(31)18-22)25(32)27-14-17-30-15-12-21(13-16-30)11-10-20-6-3-2-4-7-20/h2-9,18,21,26,28,31H,10-17H2,1H3,(H,27,32)/b26-19+,29-24+
InChIKeyYRDNQTBWSSOVSC-NUOVBGLQSA-N
XLogP3.66
TPSA100.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-phenyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]acetamide
CID 142855670
1,4-bis(2-phenylethyl)piperidine
CID 86059939
3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide
CID 142855600
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide
CID 142855540
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985
3-[4-(4-benzylpiperidin-1-yl)butyl]phenol
CID 57143217
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide
CID 170949211
1-[2-[4-[2-(3-methylphenyl)ethyl]piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 174475479
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide?
The IUPAC name of (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide (CID 142855441) is (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide.
What is the SMILES notation for (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide?
The canonical SMILES for (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide is [H]/N=C(C)/C(=N\Nc1cccc(O)c1)C(=O)NCCN1CCC(CCc2ccccc2)CC1.
What is the InChIKey of (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide?
The InChIKey is YRDNQTBWSSOVSC-NUOVBGLQSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-19(26)24(29-28-22-8-5-9-23(31)18-22)25(32)27-14-17-30-15-12-21(13-16-30)11-10-20-6-3-2-4-7-20/h2-9,18,21,26,28,31H,10-17H2,1H3,(H,27,32)/b26-19+,29-24+.
What are the key properties of (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide?
(2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide has a molecular weight of 435.57 g/mol, XLogP of 3.66, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 142855441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).