N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide

C27H36N4O3 — CID 18869327

IUPACN-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
SMILESCCOc1ccccc1/C=N/NC(=O)C(CCCCNC(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C27H36N4O3/c1-2-34-25-17-8-7-15-23(25)21-29-30-27(33)24(31-19-11-4-12-20-31)16-9-10-18-28-26(32)22-13-5-3-6-14-22/h3,5-8,13-15,17,21,24H,2,4,9-12,16,18-20H2,1H3,(H,28,32)(H,30,33)/b29-21+
InChIKeyNMFRMNGCTDUYMT-XHLNEMQHSA-N
MW464.61 g/mol
LogP3.99
Rot. Bonds12

About N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide

N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide (PubChem CID 18869327) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide.

Molecular Properties

Compound NameN-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
PubChem CID18869327
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
SMILESCCOc1ccccc1/C=N/NC(=O)C(CCCCNC(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C27H36N4O3/c1-2-34-25-17-8-7-15-23(25)21-29-30-27(33)24(31-19-11-4-12-20-31)16-9-10-18-28-26(32)22-13-5-3-6-14-22/h3,5-8,13-15,17,21,24H,2,4,9-12,16,18-20H2,1H3,(H,28,32)(H,30,33)/b29-21+
InChIKeyNMFRMNGCTDUYMT-XHLNEMQHSA-N
XLogP3.99
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509491
N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide
CID 4509497
N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 18869321
N-[6-[2-(furan-2-ylmethylidene)hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509498
N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
CID 4508547
N-[6-[2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509500
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
CID 4508719
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[5-(diethylamino)-6-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
CID 4509165

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
The IUPAC name of N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide (CID 18869327) is N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide.
What is the SMILES notation for N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
The canonical SMILES for N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide is CCOc1ccccc1/C=N/NC(=O)C(CCCCNC(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
The InChIKey is NMFRMNGCTDUYMT-XHLNEMQHSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-2-34-25-17-8-7-15-23(25)21-29-30-27(33)24(31-19-11-4-12-20-31)16-9-10-18-28-26(32)22-13-5-3-6-14-22/h3,5-8,13-15,17,21,24H,2,4,9-12,16,18-20H2,1H3,(H,28,32)(H,30,33)/b29-21+.
What are the key properties of N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide has a molecular weight of 464.61 g/mol, XLogP of 3.99, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide is sourced from PubChem (CID 18869327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).