N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide

C20H22FN3O — CID 60577741

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(NC1CCc2cc(F)ccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22FN3O/c21-16-7-8-18-15(14-16)6-9-19(18)22-20(25)24-12-10-23(11-13-24)17-4-2-1-3-5-17/h1-5,7-8,14,19H,6,9-13H2,(H,22,25)
InChIKeyMZEORTAPDNPPIS-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.34
Rot. Bonds2

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide (PubChem CID 60577741) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide
PubChem CID60577741
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(NC1CCc2cc(F)ccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22FN3O/c21-16-7-8-18-15(14-16)6-9-19(18)22-20(25)24-12-10-23(11-13-24)17-4-2-1-3-5-17/h1-5,7-8,14,19H,6,9-13H2,(H,22,25)
InChIKeyMZEORTAPDNPPIS-UHFFFAOYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide (CID 60577741) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide is O=C(NC1CCc2cc(F)ccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is MZEORTAPDNPPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-16-7-8-18-15(14-16)6-9-19(18)22-20(25)24-12-10-23(11-13-24)17-4-2-1-3-5-17/h1-5,7-8,14,19H,6,9-13H2,(H,22,25).
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 60577741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).