[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone

C22H28N4O — CID 35901272

IUPAC[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CN2CCN(Cc3ccccn3)CC2)cc1)N1CCCC1
InChIInChI=1S/C22H28N4O/c27-22(26-11-3-4-12-26)20-8-6-19(7-9-20)17-24-13-15-25(16-14-24)18-21-5-1-2-10-23-21/h1-2,5-10H,3-4,11-18H2
InChIKeyKBFDWMVMLDFLQJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.64
Rot. Bonds5

About [4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 35901272) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID35901272
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CN2CCN(Cc3ccccn3)CC2)cc1)N1CCCC1
InChIInChI=1S/C22H28N4O/c27-22(26-11-3-4-12-26)20-8-6-19(7-9-20)17-24-13-15-25(16-14-24)18-21-5-1-2-10-23-21/h1-2,5-10H,3-4,11-18H2
InChIKeyKBFDWMVMLDFLQJ-UHFFFAOYSA-N
XLogP2.64
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
CID 119066976
oxalic acid;(4-phenylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 17365950
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
[4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 34477179
[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 77092953
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide
CID 134043084
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
4-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 102452261
methyl 6-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate
CID 3793031

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 35901272) is [4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(CN2CCN(Cc3ccccn3)CC2)cc1)N1CCCC1.
What is the InChIKey of [4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KBFDWMVMLDFLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(26-11-3-4-12-26)20-8-6-19(7-9-20)17-24-13-15-25(16-14-24)18-21-5-1-2-10-23-21/h1-2,5-10H,3-4,11-18H2.
What are the key properties of [4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 364.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 35901272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).