(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

C21H26N4O — CID 74234746

IUPAC(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H26N4O/c26-21(19-5-3-18(4-6-19)17-23-11-1-2-12-23)25-15-13-24(14-16-25)20-7-9-22-10-8-20/h3-10H,1-2,11-17H2
InChIKeyCLGSQKXTVHAZIS-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.64
Rot. Bonds4

About (4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 74234746) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID74234746
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H26N4O/c26-21(19-5-3-18(4-6-19)17-23-11-1-2-12-23)25-15-13-24(14-16-25)20-7-9-22-10-8-20/h3-10H,1-2,11-17H2
InChIKeyCLGSQKXTVHAZIS-UHFFFAOYSA-N
XLogP2.64
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylsulfanylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9254824
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(4-bromophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 52988481
N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 123142315
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 86781778
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
[4-(furan-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 90649735

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 74234746) is (4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of (4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is CLGSQKXTVHAZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(19-5-3-18(4-6-19)17-23-11-1-2-12-23)25-15-13-24(14-16-25)20-7-9-22-10-8-20/h3-10H,1-2,11-17H2.
What are the key properties of (4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 350.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 74234746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).