(2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide

C26H25F2N3O2 — CID 100670957

IUPAC(2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
SMILESO=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C26H25F2N3O2/c27-21-12-7-13-22(28)23(21)26(33)31-16-14-30(15-17-31)24(20-10-5-2-6-11-20)25(32)29-18-19-8-3-1-4-9-19/h1-13,24H,14-18H2,(H,29,32)/t24-/m1/s1
InChIKeyFEIVBKUKTJNIIF-XMMPIXPASA-N
MW449.50 g/mol
LogP3.78
Rot. Bonds6

About (2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide

(2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 100670957) has the molecular formula C26H25F2N3O2 and a molecular weight of 449.50 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID100670957
Molecular FormulaC26H25F2N3O2
Molecular Weight449.50 g/mol
Exact Mass449.19
IUPAC Name(2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
SMILESO=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C26H25F2N3O2/c27-21-12-7-13-22(28)23(21)26(33)31-16-14-30(15-17-31)24(20-10-5-2-6-11-20)25(32)29-18-19-8-3-1-4-9-19/h1-13,24H,14-18H2,(H,29,32)/t24-/m1/s1
InChIKeyFEIVBKUKTJNIIF-XMMPIXPASA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 100657682
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 92769078
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 56538727
N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92767870
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119756685
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 63337395
N-[(4-chlorophenyl)methyl]-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768403
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
CID 163876395
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 52523009
2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide
CID 131937524
(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 30776820

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide (CID 100670957) is (2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide is O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of (2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is FEIVBKUKTJNIIF-XMMPIXPASA-N. The full InChI is InChI=1S/C26H25F2N3O2/c27-21-12-7-13-22(28)23(21)26(33)31-16-14-30(15-17-31)24(20-10-5-2-6-11-20)25(32)29-18-19-8-3-1-4-9-19/h1-13,24H,14-18H2,(H,29,32)/t24-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
(2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 449.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 100670957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).