N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide

C25H29FN4O2 — CID 46324478

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1nc2ccccc2n(CCC(=O)NCC2CCN(Cc3ccccc3F)CC2)c1=O
InChIInChI=1S/C25H29FN4O2/c1-18-25(32)30(23-9-5-4-8-22(23)28-18)15-12-24(31)27-16-19-10-13-29(14-11-19)17-20-6-2-3-7-21(20)26/h2-9,19H,10-17H2,1H3,(H,27,31)
InChIKeyDNWAVZZJGXKDBU-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.26
Rot. Bonds7

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 46324478) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID46324478
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1nc2ccccc2n(CCC(=O)NCC2CCN(Cc3ccccc3F)CC2)c1=O
InChIInChI=1S/C25H29FN4O2/c1-18-25(32)30(23-9-5-4-8-22(23)28-18)15-12-24(31)27-16-19-10-13-29(14-11-19)17-20-6-2-3-7-21(20)26/h2-9,19H,10-17H2,1H3,(H,27,31)
InChIKeyDNWAVZZJGXKDBU-UHFFFAOYSA-N
XLogP3.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide (CID 46324478) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide is Cc1nc2ccccc2n(CCC(=O)NCC2CCN(Cc3ccccc3F)CC2)c1=O.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is DNWAVZZJGXKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-18-25(32)30(23-9-5-4-8-22(23)28-18)15-12-24(31)27-16-19-10-13-29(14-11-19)17-20-6-2-3-7-21(20)26/h2-9,19H,10-17H2,1H3,(H,27,31).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 436.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 46324478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).