[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone

C27H31N5O3 — CID 50834755

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)CC1
InChIInChI=1S/C27H31N5O3/c1-34-24-10-6-5-9-23(24)30-17-19-32(20-18-30)27(33)21-11-15-31(16-12-21)25-26(29-14-13-28-25)35-22-7-3-2-4-8-22/h2-10,13-14,21H,11-12,15-20H2,1H3
InChIKeyFDSPFIGEZMEQON-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.84
Rot. Bonds6

About [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone (PubChem CID 50834755) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone
PubChem CID50834755
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)CC1
InChIInChI=1S/C27H31N5O3/c1-34-24-10-6-5-9-23(24)30-17-19-32(20-18-30)27(33)21-11-15-31(16-12-21)25-26(29-14-13-28-25)35-22-7-3-2-4-8-22/h2-10,13-14,21H,11-12,15-20H2,1H3
InChIKeyFDSPFIGEZMEQON-UHFFFAOYSA-N
XLogP3.84
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone
CID 46367940
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
CID 71839299
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002
[1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidin-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 50834314
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920566
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600269
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30361151
5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
CID 46324194
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50848278
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 113184102

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone (CID 50834755) is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone is COc1ccccc1N1CCN(C(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone?
The InChIKey is FDSPFIGEZMEQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-34-24-10-6-5-9-23(24)30-17-19-32(20-18-30)27(33)21-11-15-31(16-12-21)25-26(29-14-13-28-25)35-22-7-3-2-4-8-22/h2-10,13-14,21H,11-12,15-20H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone has a molecular weight of 473.58 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-phenoxypyrazin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 50834755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).