N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride

C30H31ClN2O2 — CID 67542525

IUPACN-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride
SMILESCNC(=O)c1ccc(-c2cccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)c2)cc1.Cl
InChIInChI=1S/C30H30N2O2.ClH/c1-31-30(33)24-13-11-23(12-14-24)26-7-4-8-27(18-26)28-15-16-32-19-29(28)34-20-21-9-10-22-5-2-3-6-25(22)17-21;/h2-14,17-18,28-29,32H,15-16,19-20H2,1H3,(H,31,33);1H/t28-,29+;/m1./s1
InChIKeyASZCZSAEEUPQNB-XZVFQGBBSA-N
MW487.04 g/mol
LogP5.95
Rot. Bonds6

About N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride

N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride (PubChem CID 67542525) has the molecular formula C30H31ClN2O2 and a molecular weight of 487.04 g/mol. Its IUPAC name is N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride
PubChem CID67542525
Molecular FormulaC30H31ClN2O2
Molecular Weight487.04 g/mol
Exact Mass486.21
IUPAC NameN-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride
SMILESCNC(=O)c1ccc(-c2cccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)c2)cc1.Cl
InChIInChI=1S/C30H30N2O2.ClH/c1-31-30(33)24-13-11-23(12-14-24)26-7-4-8-27(18-26)28-15-16-32-19-29(28)34-20-21-9-10-22-5-2-3-6-25(22)17-21;/h2-14,17-18,28-29,32H,15-16,19-20H2,1H3,(H,31,33);1H/t28-,29+;/m1./s1
InChIKeyASZCZSAEEUPQNB-XZVFQGBBSA-N
XLogP5.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride with MolForge

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Related Compounds

methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
CID 54453046
4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 67542141
(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride
CID 67543801
4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl]benzamide
CID 22127716
(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67542732
4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide
CID 22126678
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180
3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67545240
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042
3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67544762
[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride
CID 22128540
4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 57115568

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride (CID 67542525) is N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride is CNC(=O)c1ccc(-c2cccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)c2)cc1.Cl.
What is the InChIKey of N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride?
The InChIKey is ASZCZSAEEUPQNB-XZVFQGBBSA-N. The full InChI is InChI=1S/C30H30N2O2.ClH/c1-31-30(33)24-13-11-23(12-14-24)26-7-4-8-27(18-26)28-15-16-32-19-29(28)34-20-21-9-10-22-5-2-3-6-25(22)17-21;/h2-14,17-18,28-29,32H,15-16,19-20H2,1H3,(H,31,33);1H/t28-,29+;/m1./s1.
What are the key properties of N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride?
N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride has a molecular weight of 487.04 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 67542525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).