(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone

C21H26N4O — CID 84574439

IUPAC(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(N2CCCC2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N4O/c26-21(19-8-9-22-20(16-19)24-10-4-5-11-24)25-14-12-23(13-15-25)17-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2
InChIKeyWOKPRSWIFUTPJT-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.64
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone

(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone (PubChem CID 84574439) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
PubChem CID84574439
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(N2CCCC2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N4O/c26-21(19-8-9-22-20(16-19)24-10-4-5-11-24)25-14-12-23(13-15-25)17-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2
InChIKeyWOKPRSWIFUTPJT-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

[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078255
[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166166
[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166760
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168658
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168855

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone (CID 84574439) is (4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone is O=C(c1ccnc(N2CCCC2)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
The InChIKey is WOKPRSWIFUTPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(19-8-9-22-20(16-19)24-10-4-5-11-24)25-14-12-23(13-15-25)17-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)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-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone is sourced from PubChem (CID 84574439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).