N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide

C19H22F2N3O+ — CID 7189289

IUPACN-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC[NH+](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)/p+1
InChIKeyNSXAYBGVSQBBDO-UHFFFAOYSA-O
MW346.40 g/mol
LogP1.94
Rot. Bonds4

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

N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide (PubChem CID 7189289) has the molecular formula C19H22F2N3O+ and a molecular weight of 346.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide
PubChem CID7189289
Molecular FormulaC19H22F2N3O+
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC[NH+](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)/p+1
InChIKeyNSXAYBGVSQBBDO-UHFFFAOYSA-O
XLogP1.94
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
4-[(3,4-dichlorophenyl)methyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 2957495
10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide
CID 171318547
N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 3688257
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103626
N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304661
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide (CID 7189289) is N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CC[NH+](CCc2ccccc2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide?
The InChIKey is NSXAYBGVSQBBDO-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide?
N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide is sourced from PubChem (CID 7189289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).