4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide

C32H32N2O3 — CID 22126678

IUPAC4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide
SMILESO=C(CCNC(=O)c1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C32H32N2O3/c35-30(26-7-2-1-3-8-26)17-19-34-32(36)27-14-12-25(13-15-27)29-16-18-33-21-31(29)37-22-23-10-11-24-6-4-5-9-28(24)20-23/h1-15,20,29,31,33H,16-19,21-22H2,(H,34,36)
InChIKeyQEYQEXJBJRDTDB-UHFFFAOYSA-N
MW492.62 g/mol
LogP5.50
Rot. Bonds9

About 4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide

4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide (PubChem CID 22126678) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide
PubChem CID22126678
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Name4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide
SMILESO=C(CCNC(=O)c1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C32H32N2O3/c35-30(26-7-2-1-3-8-26)17-19-34-32(36)27-14-12-25(13-15-27)29-16-18-33-21-31(29)37-22-23-10-11-24-6-4-5-9-28(24)20-23/h1-15,20,29,31,33H,16-19,21-22H2,(H,34,36)
InChIKeyQEYQEXJBJRDTDB-UHFFFAOYSA-N
XLogP5.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl]benzamide
CID 22127716
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042
5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid
CID 174421641
methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
CID 54453046
phenacyl 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetate;2,2,2-trifluoroacetic acid
CID 159327738
tert-butyl formate;2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]-1-phenylethanone
CID 174398005
N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride
CID 67542525
[(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate
CID 22127492
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethyl 4-hydroxybenzoate
CID 22127458
[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride
CID 22128540
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180

Frequently Asked Questions

What is the IUPAC name of 4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide?
The IUPAC name of 4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide (CID 22126678) is 4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide.
What is the SMILES notation for 4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide?
The canonical SMILES for 4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide is O=C(CCNC(=O)c1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1)c1ccccc1.
What is the InChIKey of 4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide?
The InChIKey is QEYQEXJBJRDTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3/c35-30(26-7-2-1-3-8-26)17-19-34-32(36)27-14-12-25(13-15-27)29-16-18-33-21-31(29)37-22-23-10-11-24-6-4-5-9-28(24)20-23/h1-15,20,29,31,33H,16-19,21-22H2,(H,34,36).
What are the key properties of 4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide?
4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide has a molecular weight of 492.62 g/mol, XLogP of 5.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide is sourced from PubChem (CID 22126678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).