N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide

C32H32FN3O2 — CID 26354790

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccncc1)Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C32H32FN3O2/c33-29-6-4-5-27(21-29)24-38-31-13-7-25(8-14-31)22-36(23-26-15-17-34-18-16-26)32(37)28-9-11-30(12-10-28)35-19-2-1-3-20-35/h4-18,21H,1-3,19-20,22-24H2
InChIKeyAGKDXBVHDNPTAW-UHFFFAOYSA-N
MW509.63 g/mol
LogP6.63
Rot. Bonds9

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 26354790) has the molecular formula C32H32FN3O2 and a molecular weight of 509.63 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID26354790
Molecular FormulaC32H32FN3O2
Molecular Weight509.63 g/mol
Exact Mass509.25
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccncc1)Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C32H32FN3O2/c33-29-6-4-5-27(21-29)24-38-31-13-7-25(8-14-31)22-36(23-26-15-17-34-18-16-26)32(37)28-9-11-30(12-10-28)35-19-2-1-3-20-35/h4-18,21H,1-3,19-20,22-24H2
InChIKeyAGKDXBVHDNPTAW-UHFFFAOYSA-N
XLogP6.63
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.63
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

YM-244769
CID 11442117
4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
3-[2-(4-aminophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052465
(4-Fluorophenyl)-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
CID 162646656
4-phenoxy-N-(pyridin-4-ylmethyl)benzamide
CID 2568387
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
5-(4-methoxyphenyl)-6-(4-pyridyl) 3-phenyl-1-methyl-1H-pyridin-2-one
CID 10761534
(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 57412058
7-(4-fluoro-phenyl)-3-phenoxymethyl-6,7-dihydro-[1,7]-naphthyridin-8(5H)-one
CID 68008713
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
CID 118711013
Chmfl-kit-110
CID 127043948

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide (CID 26354790) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide is O=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccncc1)Cc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is AGKDXBVHDNPTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN3O2/c33-29-6-4-5-27(21-29)24-38-31-13-7-25(8-14-31)22-36(23-26-15-17-34-18-16-26)32(37)28-9-11-30(12-10-28)35-19-2-1-3-20-35/h4-18,21H,1-3,19-20,22-24H2.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 509.63 g/mol, XLogP of 6.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 26354790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).