(E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide

C29H29N3O2 — CID 46197686

IUPAC(E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1)NO
InChIInChI=1S/C29H29N3O2/c33-27(31-34)17-16-21-12-14-22(15-13-21)19-32-18-6-9-24(20-32)28-25-10-4-5-11-26(25)30-29(28)23-7-2-1-3-8-23/h1-5,7-8,10-17,24,30,34H,6,9,18-20H2,(H,31,33)/b17-16+
InChIKeyOSLCXRHTDASFII-WUKNDPDISA-N
MW451.57 g/mol
LogP5.73
Rot. Bonds6

About (E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide (PubChem CID 46197686) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide
PubChem CID46197686
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name(E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1)NO
InChIInChI=1S/C29H29N3O2/c33-27(31-34)17-16-21-12-14-22(15-13-21)19-32-18-6-9-24(20-32)28-25-10-4-5-11-26(25)30-29(28)23-7-2-1-3-8-23/h1-5,7-8,10-17,24,30,34H,6,9,18-20H2,(H,31,33)/b17-16+
InChIKeyOSLCXRHTDASFII-WUKNDPDISA-N
XLogP5.73
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide (CID 46197686) is (E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide?
The InChIKey is OSLCXRHTDASFII-WUKNDPDISA-N. The full InChI is InChI=1S/C29H29N3O2/c33-27(31-34)17-16-21-12-14-22(15-13-21)19-32-18-6-9-24(20-32)28-25-10-4-5-11-26(25)30-29(28)23-7-2-1-3-8-23/h1-5,7-8,10-17,24,30,34H,6,9,18-20H2,(H,31,33)/b17-16+.
What are the key properties of (E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide has a molecular weight of 451.57 g/mol, XLogP of 5.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[3-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 46197686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).