2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline

C25H31N5 — CID 56703574

IUPAC2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline
SMILESCc1nc2ccccc2nc1CN1CCCC(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C25H31N5/c1-20-25(27-24-12-6-5-11-23(24)26-20)19-28-13-7-10-22(18-28)30-16-14-29(15-17-30)21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3
InChIKeyQMQCZWCEWAVKLI-UHFFFAOYSA-N
MW401.56 g/mol
LogP3.72
Rot. Bonds4

About 2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline

2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline (PubChem CID 56703574) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is 2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline
PubChem CID56703574
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC Name2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline
SMILESCc1nc2ccccc2nc1CN1CCCC(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C25H31N5/c1-20-25(27-24-12-6-5-11-23(24)26-20)19-28-13-7-10-22(18-28)30-16-14-29(15-17-30)21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3
InChIKeyQMQCZWCEWAVKLI-UHFFFAOYSA-N
XLogP3.72
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 30723281
2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45201583
1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine
CID 51636134
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682
1-(4-methoxyphenyl)-4-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 30674071
1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92671940
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010
1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 29025981
(2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 95337645
(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol
CID 70786002
1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92641150
1-[(3R)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 28824109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline?
The IUPAC name of 2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline (CID 56703574) is 2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline?
The canonical SMILES for 2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline is Cc1nc2ccccc2nc1CN1CCCC(N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline?
The InChIKey is QMQCZWCEWAVKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5/c1-20-25(27-24-12-6-5-11-23(24)26-20)19-28-13-7-10-22(18-28)30-16-14-29(15-17-30)21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3.
What are the key properties of 2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline?
2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline has a molecular weight of 401.56 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 56703574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).