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

C18H23N3O2 — CID 163183793

IUPAC(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/C1CCN(CCc2c[nH]c3ccccc23)CC1)NO
InChIInChI=1S/C18H23N3O2/c22-18(20-23)6-5-14-7-10-21(11-8-14)12-9-15-13-19-17-4-2-1-3-16(15)17/h1-6,13-14,19,23H,7-12H2,(H,20,22)/b6-5+
InChIKeyULPMTANVOCUWOD-AATRIKPKSA-N
MW313.40 g/mol
LogP2.48
Rot. Bonds5

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

(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide (PubChem CID 163183793) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide
PubChem CID163183793
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/C1CCN(CCc2c[nH]c3ccccc23)CC1)NO
InChIInChI=1S/C18H23N3O2/c22-18(20-23)6-5-14-7-10-21(11-8-14)12-9-15-13-19-17-4-2-1-3-16(15)17/h1-6,13-14,19,23H,7-12H2,(H,20,22)/b6-5+
InChIKeyULPMTANVOCUWOD-AATRIKPKSA-N
XLogP2.48
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.48
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-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide (CID 163183793) is (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide is O=C(/C=C/C1CCN(CCc2c[nH]c3ccccc23)CC1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide?
The InChIKey is ULPMTANVOCUWOD-AATRIKPKSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-18(20-23)6-5-14-7-10-21(11-8-14)12-9-15-13-19-17-4-2-1-3-16(15)17/h1-6,13-14,19,23H,7-12H2,(H,20,22)/b6-5+.
What are the key properties of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide has a molecular weight of 313.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 163183793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).