N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide

C19H21F2N3O — CID 2810464

IUPACN-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H21F2N3O/c20-16-6-7-18(17(21)14-16)22-19(25)24-12-10-23(11-13-24)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,22,25)
InChIKeyNSXAYBGVSQBBDO-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.36
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 2810464) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID2810464
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H21F2N3O/c20-16-6-7-18(17(21)14-16)22-19(25)24-12-10-23(11-13-24)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,22,25)
InChIKeyNSXAYBGVSQBBDO-UHFFFAOYSA-N
XLogP3.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide (CID 2810464) is N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is NSXAYBGVSQBBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-16-6-7-18(17(21)14-16)22-19(25)24-12-10-23(11-13-24)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 2810464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).