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

C21H27N5O — CID 109174556

IUPAC[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(N2CCCCCC2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H27N5O/c27-21(26-15-13-25(14-16-26)19-7-3-4-9-22-19)18-8-10-23-20(17-18)24-11-5-1-2-6-12-24/h3-4,7-10,17H,1-2,5-6,11-16H2
InChIKeyGRODPRXFAIGMIN-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.82
Rot. Bonds3

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

[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109174556) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109174556
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(N2CCCCCC2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H27N5O/c27-21(26-15-13-25(14-16-26)19-7-3-4-9-22-19)18-8-10-23-20(17-18)24-11-5-1-2-6-12-24/h3-4,7-10,17H,1-2,5-6,11-16H2
InChIKeyGRODPRXFAIGMIN-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109174556) is [2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccnc(N2CCCCCC2)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GRODPRXFAIGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21(26-15-13-25(14-16-26)19-7-3-4-9-22-19)18-8-10-23-20(17-18)24-11-5-1-2-6-12-24/h3-4,7-10,17H,1-2,5-6,11-16H2.
What are the key properties of [2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109174556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).