1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone

C23H25N3O — CID 56885682

IUPAC1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
SMILESCc1nc2ccccc2nc1CN1CCCC(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C23H25N3O/c1-17-22(25-21-12-6-5-11-20(21)24-17)16-26-13-7-10-19(15-26)23(27)14-18-8-3-2-4-9-18/h2-6,8-9,11-12,19H,7,10,13-16H2,1H3
InChIKeySFQZMNMBCLCAEG-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.96
Rot. Bonds5

About 1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone

1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone (PubChem CID 56885682) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
PubChem CID56885682
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
SMILESCc1nc2ccccc2nc1CN1CCCC(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C23H25N3O/c1-17-22(25-21-12-6-5-11-20(21)24-17)16-26-13-7-10-19(15-26)23(27)14-18-8-3-2-4-9-18/h2-6,8-9,11-12,19H,7,10,13-16H2,1H3
InChIKeySFQZMNMBCLCAEG-UHFFFAOYSA-N
XLogP3.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56896479
1-[(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95870310
2-phenyl-1-[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]ethanone
CID 95896053
(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone
CID 25373372
1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70712573
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319
1-[(3S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-2-phenylethanone
CID 95728184
1-[1-[[3-(2-aminoethyl)phenyl]methyl]piperidin-3-yl]-2-phenylethanone
CID 56888327
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone
CID 56903614
1-[(3S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95888911
2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline
CID 56703574

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone?
The IUPAC name of 1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone (CID 56885682) is 1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone is Cc1nc2ccccc2nc1CN1CCCC(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone?
The InChIKey is SFQZMNMBCLCAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-22(25-21-12-6-5-11-20(21)24-17)16-26-13-7-10-19(15-26)23(27)14-18-8-3-2-4-9-18/h2-6,8-9,11-12,19H,7,10,13-16H2,1H3.
What are the key properties of 1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone?
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone has a molecular weight of 359.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 56885682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).