4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide

C23H30F2N4O — CID 23371536

IUPAC4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(CCNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H30F2N4O/c1-17(2)27-23(30)29-15-13-28(14-16-29)12-11-26-22(18-3-7-20(24)8-4-18)19-5-9-21(25)10-6-19/h3-10,17,22,26H,11-16H2,1-2H3,(H,27,30)
InChIKeyQJESHEISCLNNKV-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.38
Rot. Bonds7

About 4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 23371536) has the molecular formula C23H30F2N4O and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID23371536
Molecular FormulaC23H30F2N4O
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(CCNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H30F2N4O/c1-17(2)27-23(30)29-15-13-28(14-16-29)12-11-26-22(18-3-7-20(24)8-4-18)19-5-9-21(25)10-6-19/h3-10,17,22,26H,11-16H2,1-2H3,(H,27,30)
InChIKeyQJESHEISCLNNKV-UHFFFAOYSA-N
XLogP3.38
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 68626796
4-[(4-fluorophenyl)methylsulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811162
4-[4,4-bis(4-fluorophenyl)butyl]-N-methylpiperazine-1-carboxamide
CID 57059266
3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 43522243
4-(2-morpholin-4-ylethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113073717
N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide
CID 70381560
4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide
CID 49121709
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride
CID 70382435

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 23371536) is 4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(CCNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is QJESHEISCLNNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N4O/c1-17(2)27-23(30)29-15-13-28(14-16-29)12-11-26-22(18-3-7-20(24)8-4-18)19-5-9-21(25)10-6-19/h3-10,17,22,26H,11-16H2,1-2H3,(H,27,30).
What are the key properties of 4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 23371536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).