2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide

C27H28FN3O3 — CID 55959028

IUPAC2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1F
InChIInChI=1S/C27H28FN3O3/c1-34-25-12-11-19(17-23(25)28)18-31-15-13-21(14-16-31)29-27(33)22-9-5-6-10-24(22)30-26(32)20-7-3-2-4-8-20/h2-12,17,21H,13-16,18H2,1H3,(H,29,33)(H,30,32)
InChIKeyRPNOXQSRWASCMG-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.48
Rot. Bonds7

About 2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide

2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 55959028) has the molecular formula C27H28FN3O3 and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID55959028
Molecular FormulaC27H28FN3O3
Molecular Weight461.54 g/mol
Exact Mass461.21
IUPAC Name2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1F
InChIInChI=1S/C27H28FN3O3/c1-34-25-12-11-19(17-23(25)28)18-31-15-13-21(14-16-31)29-27(33)22-9-5-6-10-24(22)30-26(32)20-7-3-2-4-8-20/h2-12,17,21H,13-16,18H2,1H3,(H,29,33)(H,30,32)
InChIKeyRPNOXQSRWASCMG-UHFFFAOYSA-N
XLogP4.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methoxyphenyl)urea
CID 87008877
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55958775
2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 56561297
benzyl N-[4-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-oxobutyl]carbamate
CID 55958908
3-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55958523
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-phenylbutan-2-yl)urea
CID 55909734
4-benzamido-N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxybenzamide
CID 10623982
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide (CID 55959028) is 2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide is COc1ccc(CN2CCC(NC(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1F.
What is the InChIKey of 2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is RPNOXQSRWASCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3/c1-34-25-12-11-19(17-23(25)28)18-31-15-13-21(14-16-31)29-27(33)22-9-5-6-10-24(22)30-26(32)20-7-3-2-4-8-20/h2-12,17,21H,13-16,18H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 461.54 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55959028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).