N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide

C20H22FN3O2 — CID 22580791

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NC1COc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O2/c21-16-5-7-18(8-6-16)23-9-11-24(12-10-23)20(25)22-17-13-15-3-1-2-4-19(15)26-14-17/h1-8,17H,9-14H2,(H,22,25)
InChIKeyHMPKHNXKDSCFPR-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.66
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide

N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 22580791) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID22580791
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NC1COc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O2/c21-16-5-7-18(8-6-16)23-9-11-24(12-10-23)20(25)22-17-13-15-3-1-2-4-19(15)26-14-17/h1-8,17H,9-14H2,(H,22,25)
InChIKeyHMPKHNXKDSCFPR-UHFFFAOYSA-N
XLogP2.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 22580791) is N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide is O=C(NC1COc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is HMPKHNXKDSCFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-5-7-18(8-6-16)23-9-11-24(12-10-23)20(25)22-17-13-15-3-1-2-4-19(15)26-14-17/h1-8,17H,9-14H2,(H,22,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 22580791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).