[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone

C22H28N4O — CID 109226310

IUPAC[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cccc(N2CCN(c3cncc(C(=O)N4CCCCC4)c3)CC2)c1
InChIInChI=1S/C22H28N4O/c1-18-6-5-7-20(14-18)24-10-12-25(13-11-24)21-15-19(16-23-17-21)22(27)26-8-3-2-4-9-26/h5-7,14-17H,2-4,8-13H2,1H3
InChIKeyPNOXHYHHJHNQJX-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.34
Rot. Bonds3

About [5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone

[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109226310) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109226310
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cccc(N2CCN(c3cncc(C(=O)N4CCCCC4)c3)CC2)c1
InChIInChI=1S/C22H28N4O/c1-18-6-5-7-20(14-18)24-10-12-25(13-11-24)21-15-19(16-23-17-21)22(27)26-8-3-2-4-9-26/h5-7,14-17H,2-4,8-13H2,1H3
InChIKeyPNOXHYHHJHNQJX-UHFFFAOYSA-N
XLogP3.34
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
CID 109103768
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226257
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527766
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55633559
[4-(3-methylphenyl)piperazin-1-yl]-[5-(pentylamino)-3-pyridinyl]methanone
CID 109238400
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040

Frequently Asked Questions

What is the IUPAC name of [5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone (CID 109226310) is [5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1cccc(N2CCN(c3cncc(C(=O)N4CCCCC4)c3)CC2)c1.
What is the InChIKey of [5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is PNOXHYHHJHNQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-18-6-5-7-20(14-18)24-10-12-25(13-11-24)21-15-19(16-23-17-21)22(27)26-8-3-2-4-9-26/h5-7,14-17H,2-4,8-13H2,1H3.
What are the key properties of [5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 364.49 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109226310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).