N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide

C29H34N2O2 — CID 22949382

IUPACN-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide
SMILESO=C(NC(/C=C/C(CO)Cc1ccccc1)Cc1ccc2ccccc2c1)C1CCCNC1
InChIInChI=1S/C29H34N2O2/c32-21-24(17-22-7-2-1-3-8-22)13-15-28(31-29(33)27-11-6-16-30-20-27)19-23-12-14-25-9-4-5-10-26(25)18-23/h1-5,7-10,12-15,18,24,27-28,30,32H,6,11,16-17,19-21H2,(H,31,33)/b15-13+
InChIKeyNJXSTJMWHBPLCA-FYWRMAATSA-N
MW442.60 g/mol
LogP4.27
Rot. Bonds9

About N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide

N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide (PubChem CID 22949382) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide
PubChem CID22949382
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC NameN-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide
SMILESO=C(NC(/C=C/C(CO)Cc1ccccc1)Cc1ccc2ccccc2c1)C1CCCNC1
InChIInChI=1S/C29H34N2O2/c32-21-24(17-22-7-2-1-3-8-22)13-15-28(31-29(33)27-11-6-16-30-20-27)19-23-12-14-25-9-4-5-10-26(25)18-23/h1-5,7-10,12-15,18,24,27-28,30,32H,6,11,16-17,19-21H2,(H,31,33)/b15-13+
InChIKeyNJXSTJMWHBPLCA-FYWRMAATSA-N
XLogP4.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 104902032
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81128319
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
CID 119780846
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119304562
N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119275756
[(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid
CID 142626458
N-(1-phenylmethoxypropan-2-yl)piperidine-3-carboxamide
CID 119335297
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide (CID 22949382) is N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide is O=C(NC(/C=C/C(CO)Cc1ccccc1)Cc1ccc2ccccc2c1)C1CCCNC1.
What is the InChIKey of N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide?
The InChIKey is NJXSTJMWHBPLCA-FYWRMAATSA-N. The full InChI is InChI=1S/C29H34N2O2/c32-21-24(17-22-7-2-1-3-8-22)13-15-28(31-29(33)27-11-6-16-30-20-27)19-23-12-14-25-9-4-5-10-26(25)18-23/h1-5,7-10,12-15,18,24,27-28,30,32H,6,11,16-17,19-21H2,(H,31,33)/b15-13+.
What are the key properties of N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide?
N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 4.27, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 22949382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).