4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide

C31H32N2O3 — CID 140502176

IUPAC4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(N3CCCC(OCc4ccc5ccccc5c4)C3)cc2)cc1
InChIInChI=1S/C31H32N2O3/c1-35-29-16-12-26(13-17-29)31(34)32-20-23-9-14-28(15-10-23)33-18-4-7-30(21-33)36-22-24-8-11-25-5-2-3-6-27(25)19-24/h2-3,5-6,8-17,19,30H,4,7,18,20-22H2,1H3,(H,32,34)
InChIKeyGUFFDDDJBPGSHO-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.96
Rot. Bonds8

About 4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide

4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide (PubChem CID 140502176) has the molecular formula C31H32N2O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide
PubChem CID140502176
Molecular FormulaC31H32N2O3
Molecular Weight480.61 g/mol
Exact Mass480.24
IUPAC Name4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(N3CCCC(OCc4ccc5ccccc5c4)C3)cc2)cc1
InChIInChI=1S/C31H32N2O3/c1-35-29-16-12-26(13-17-29)31(34)32-20-23-9-14-28(15-10-23)33-18-4-7-30(21-33)36-22-24-8-11-25-5-2-3-6-27(25)19-24/h2-3,5-6,8-17,19,30H,4,7,18,20-22H2,1H3,(H,32,34)
InChIKeyGUFFDDDJBPGSHO-UHFFFAOYSA-N
XLogP5.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[[3-(naphthalen-2-ylmethoxy)-1-phenylpiperidin-4-yl]methyl]benzamide
CID 174386286
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl]benzamide
CID 22127716
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 141337108
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
tert-butyl 4-[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]piperazine-1-carboxylate
CID 5133072
N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 91813629
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide (CID 140502176) is 4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(N3CCCC(OCc4ccc5ccccc5c4)C3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide?
The InChIKey is GUFFDDDJBPGSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O3/c1-35-29-16-12-26(13-17-29)31(34)32-20-23-9-14-28(15-10-23)33-18-4-7-30(21-33)36-22-24-8-11-25-5-2-3-6-27(25)19-24/h2-3,5-6,8-17,19,30H,4,7,18,20-22H2,1H3,(H,32,34).
What are the key properties of 4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide?
4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide has a molecular weight of 480.61 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-1-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 140502176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).