4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide

C20H22F2N4O — CID 146081779

IUPAC4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H22F2N4O/c21-17-3-4-19(18(22)10-17)25-5-7-26(8-6-25)20(27)24-11-14-1-2-15-12-23-13-16(15)9-14/h1-4,9-10,23H,5-8,11-13H2,(H,24,27)
InChIKeySMJVMTGZRMWZER-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.60
Rot. Bonds3

About 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide

4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide (PubChem CID 146081779) has the molecular formula C20H22F2N4O and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide
PubChem CID146081779
Molecular FormulaC20H22F2N4O
Molecular Weight372.42 g/mol
Exact Mass372.18
IUPAC Name4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H22F2N4O/c21-17-3-4-19(18(22)10-17)25-5-7-26(8-6-25)20(27)24-11-14-1-2-15-12-23-13-16(15)9-14/h1-4,9-10,23H,5-8,11-13H2,(H,24,27)
InChIKeySMJVMTGZRMWZER-UHFFFAOYSA-N
XLogP2.60
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
CID 105062382
4-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107693
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
(2S)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 138055627
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315
4-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107696
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
N-[(3-bromophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108898979
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-4-phenyl-1,4-diazepane-1-carboxamide
CID 91641732
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea
CID 105357655

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide (CID 146081779) is 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccc2c(c1)CNC2)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide?
The InChIKey is SMJVMTGZRMWZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O/c21-17-3-4-19(18(22)10-17)25-5-7-26(8-6-25)20(27)24-11-14-1-2-15-12-23-13-16(15)9-14/h1-4,9-10,23H,5-8,11-13H2,(H,24,27).
What are the key properties of 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide?
4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 146081779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).