(1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone

C21H22Cl2N4O2 — CID 112837414

IUPAC(1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN1C(=O)c1ccccc1)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H22Cl2N4O2/c22-16-13-17(23)19(24-14-16)25-9-11-26(12-10-25)21(29)18-7-4-8-27(18)20(28)15-5-2-1-3-6-15/h1-3,5-6,13-14,18H,4,7-12H2
InChIKeyRZQIXILOCJCOBB-UHFFFAOYSA-N
MW433.34 g/mol
LogP3.34
Rot. Bonds3

About (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone

(1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 112837414) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID112837414
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC Name(1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN1C(=O)c1ccccc1)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H22Cl2N4O2/c22-16-13-17(23)19(24-14-16)25-9-11-26(12-10-25)21(29)18-7-4-8-27(18)20(28)15-5-2-1-3-6-15/h1-3,5-6,13-14,18H,4,7-12H2
InChIKeyRZQIXILOCJCOBB-UHFFFAOYSA-N
XLogP3.34
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 112821649
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
(2S)-1-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910782
1-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909387
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 55850354
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 71252515
(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
CID 119380930

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone (CID 112837414) is (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone is O=C(C1CCCN1C(=O)c1ccccc1)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is RZQIXILOCJCOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c22-16-13-17(23)19(24-14-16)25-9-11-26(12-10-25)21(29)18-7-4-8-27(18)20(28)15-5-2-1-3-6-15/h1-3,5-6,13-14,18H,4,7-12H2.
What are the key properties of (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
(1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 433.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112837414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).