phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone

C21H24N4O2 — CID 78806153

IUPACphenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2cccnc2N2CCCC2)CC1
InChIInChI=1S/C21H24N4O2/c26-20(17-7-2-1-3-8-17)24-13-15-25(16-14-24)21(27)18-9-6-10-22-19(18)23-11-4-5-12-23/h1-3,6-10H,4-5,11-16H2
InChIKeyAUDMKDXHGAJONF-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.28
Rot. Bonds3

About phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone

phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 78806153) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID78806153
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Namephenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2cccnc2N2CCCC2)CC1
InChIInChI=1S/C21H24N4O2/c26-20(17-7-2-1-3-8-17)24-13-15-25(16-14-24)21(27)18-9-6-10-22-19(18)23-11-4-5-12-23/h1-3,6-10H,4-5,11-16H2
InChIKeyAUDMKDXHGAJONF-UHFFFAOYSA-N
XLogP2.28
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
[4-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 138383229
[4-(4-fluorophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575308
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473
2-[4-[3-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]benzonitrile
CID 133328453
[4-(2-nitrophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 26782974
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone (CID 78806153) is phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(C(=O)c2cccnc2N2CCCC2)CC1.
What is the InChIKey of phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is AUDMKDXHGAJONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(17-7-2-1-3-8-17)24-13-15-25(16-14-24)21(27)18-9-6-10-22-19(18)23-11-4-5-12-23/h1-3,6-10H,4-5,11-16H2.
What are the key properties of phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone?
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78806153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).