N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

C16H21BrN2O2 — CID 108908969

IUPACN-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(N/C=C/c1ccc(Br)cc1)N1CCCCC1CCO
InChIInChI=1S/C16H21BrN2O2/c17-14-6-4-13(5-7-14)8-10-18-16(21)19-11-2-1-3-15(19)9-12-20/h4-8,10,15,20H,1-3,9,11-12H2,(H,18,21)/b10-8+
InChIKeyQSNGNWSPHIPKAH-CSKARUKUSA-N
MW353.26 g/mol
LogP3.37
Rot. Bonds4

About N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 108908969) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID108908969
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC NameN-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(N/C=C/c1ccc(Br)cc1)N1CCCCC1CCO
InChIInChI=1S/C16H21BrN2O2/c17-14-6-4-13(5-7-14)8-10-18-16(21)19-11-2-1-3-15(19)9-12-20/h4-8,10,15,20H,1-3,9,11-12H2,(H,18,21)/b10-8+
InChIKeyQSNGNWSPHIPKAH-CSKARUKUSA-N
XLogP3.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60741401
(E)-3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 60741700
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
(E)-3-(2-bromophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 60743174
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43445645
[2-(2-bromoethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80666598
2-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 108898255
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 110895265

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 108908969) is N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is O=C(N/C=C/c1ccc(Br)cc1)N1CCCCC1CCO.
What is the InChIKey of N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is QSNGNWSPHIPKAH-CSKARUKUSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c17-14-6-4-13(5-7-14)8-10-18-16(21)19-11-2-1-3-15(19)9-12-20/h4-8,10,15,20H,1-3,9,11-12H2,(H,18,21)/b10-8+.
What are the key properties of N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 108908969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).