[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone

C22H26N4O3 — CID 109103768

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cncc(C(=O)N4CCOCC4)c3)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-17-3-2-4-20(13-17)24-5-7-25(8-6-24)21(27)18-14-19(16-23-15-18)22(28)26-9-11-29-12-10-26/h2-4,13-16H,5-12H2,1H3
InChIKeySVRUHHSCEKEEBK-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.82
Rot. Bonds3

About [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone

[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone (PubChem CID 109103768) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
PubChem CID109103768
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cncc(C(=O)N4CCOCC4)c3)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-17-3-2-4-20(13-17)24-5-7-25(8-6-24)21(27)18-14-19(16-23-15-18)22(28)26-9-11-29-12-10-26/h2-4,13-16H,5-12H2,1H3
InChIKeySVRUHHSCEKEEBK-UHFFFAOYSA-N
XLogP1.82
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226310
[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228601
N-ethyl-N-(3-methylphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103874
[4-(3-methylphenyl)piperazin-1-yl]-[5-(pentylamino)-3-pyridinyl]methanone
CID 109238400
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone (CID 109103768) is [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone is Cc1cccc(N2CCN(C(=O)c3cncc(C(=O)N4CCOCC4)c3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone?
The InChIKey is SVRUHHSCEKEEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-17-3-2-4-20(13-17)24-5-7-25(8-6-24)21(27)18-14-19(16-23-15-18)22(28)26-9-11-29-12-10-26/h2-4,13-16H,5-12H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone has a molecular weight of 394.48 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone is sourced from PubChem (CID 109103768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).