N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide

C48H58F4N8O7 — CID 160766230

IUPACN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cc2F)c2cccc(OC)c2)CC1.CCN1CCN(C(=O)N(Cc2ccc(C(=O)CNC(=O)C(F)F)cc2F)c2cccc(OC)c2)CC1
InChIInChI=1S/C25H29F3N4O4.C23H29FN4O3/c1-3-30-9-11-31(12-10-30)25(35)32(19-5-4-6-20(14-19)36-2)16-18-8-7-17(13-21(18)26)22(33)15-29-24(34)23(27)28;1-3-26-9-11-27(12-10-26)23(30)28(19-5-4-6-20(14-19)31-2)16-18-8-7-17(13-21(18)24)22(29)15-25/h4-8,13-14,23H,3,9-12,15-16H2,1-2H3,(H,29,34);4-8,13-14H,3,9-12,15-16,25H2,1-2H3
InChIKeyRYSIASRSGPZZPQ-UHFFFAOYSA-N
MW935.03 g/mol
LogP5.90
Rot. Bonds16

About N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 160766230) has the molecular formula C48H58F4N8O7 and a molecular weight of 935.03 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID160766230
Molecular FormulaC48H58F4N8O7
Molecular Weight935.03 g/mol
Exact Mass934.44
IUPAC NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cc2F)c2cccc(OC)c2)CC1.CCN1CCN(C(=O)N(Cc2ccc(C(=O)CNC(=O)C(F)F)cc2F)c2cccc(OC)c2)CC1
InChIInChI=1S/C25H29F3N4O4.C23H29FN4O3/c1-3-30-9-11-31(12-10-30)25(35)32(19-5-4-6-20(14-19)36-2)16-18-8-7-17(13-21(18)26)22(33)15-29-24(34)23(27)28;1-3-26-9-11-27(12-10-26)23(30)28(19-5-4-6-20(14-19)31-2)16-18-8-7-17(13-21(18)24)22(29)15-25/h4-8,13-14,23H,3,9-12,15-16H2,1-2H3,(H,29,34);4-8,13-14H,3,9-12,15-16,25H2,1-2H3
InChIKeyRYSIASRSGPZZPQ-UHFFFAOYSA-N
XLogP5.90
TPSA161.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.03
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 160766230) is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide is CCN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cc2F)c2cccc(OC)c2)CC1.CCN1CCN(C(=O)N(Cc2ccc(C(=O)CNC(=O)C(F)F)cc2F)c2cccc(OC)c2)CC1.
What is the InChIKey of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is RYSIASRSGPZZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O4.C23H29FN4O3/c1-3-30-9-11-31(12-10-30)25(35)32(19-5-4-6-20(14-19)36-2)16-18-8-7-17(13-21(18)26)22(33)15-29-24(34)23(27)28;1-3-26-9-11-27(12-10-26)23(30)28(19-5-4-6-20(14-19)31-2)16-18-8-7-17(13-21(18)24)22(29)15-25/h4-8,13-14,23H,3,9-12,15-16H2,1-2H3,(H,29,34);4-8,13-14H,3,9-12,15-16,25H2,1-2H3.
What are the key properties of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 935.03 g/mol, XLogP of 5.90, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 160766230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).