[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H27N5O — CID 109216212

IUPAC[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCC1CCCN(c2ccnc(C(=O)N3CCN(c4ccccn4)CC3)c2)C1
InChIInChI=1S/C21H27N5O/c1-17-5-4-10-26(16-17)18-7-9-22-19(15-18)21(27)25-13-11-24(12-14-25)20-6-2-3-8-23-20/h2-3,6-9,15,17H,4-5,10-14,16H2,1H3
InChIKeyUYSZHGFQBGUVHU-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.68
Rot. Bonds3

About [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109216212) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109216212
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCC1CCCN(c2ccnc(C(=O)N3CCN(c4ccccn4)CC3)c2)C1
InChIInChI=1S/C21H27N5O/c1-17-5-4-10-26(16-17)18-7-9-22-19(15-18)21(27)25-13-11-24(12-14-25)20-6-2-3-8-23-20/h2-3,6-9,15,17H,4-5,10-14,16H2,1H3
InChIKeyUYSZHGFQBGUVHU-UHFFFAOYSA-N
XLogP2.68
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
[4-(propan-2-ylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109201553
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109364142
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109215155
[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310659
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262221
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218095
4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112923898
4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210674

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109216212) is [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CC1CCCN(c2ccnc(C(=O)N3CCN(c4ccccn4)CC3)c2)C1.
What is the InChIKey of [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UYSZHGFQBGUVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-17-5-4-10-26(16-17)18-7-9-22-19(15-18)21(27)25-13-11-24(12-14-25)20-6-2-3-8-23-20/h2-3,6-9,15,17H,4-5,10-14,16H2,1H3.
What are the key properties of [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109216212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).