1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone

C16H22N4O2 — CID 95716273

IUPAC1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCN[C@@H](C(=O)N3CCCC3)C2)nc1
InChIInChI=1S/C16H22N4O2/c1-12(21)13-4-5-15(18-10-13)20-9-6-17-14(11-20)16(22)19-7-2-3-8-19/h4-5,10,14,17H,2-3,6-9,11H2,1H3/t14-/m1/s1
InChIKeyANNJLUVTWDLFFS-CQSZACIVSA-N
MW302.38 g/mol
LogP0.68
Rot. Bonds3

About 1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone

1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone (PubChem CID 95716273) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone
PubChem CID95716273
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCN[C@@H](C(=O)N3CCCC3)C2)nc1
InChIInChI=1S/C16H22N4O2/c1-12(21)13-4-5-15(18-10-13)20-9-6-17-14(11-20)16(22)19-7-2-3-8-19/h4-5,10,14,17H,2-3,6-9,11H2,1H3/t14-/m1/s1
InChIKeyANNJLUVTWDLFFS-CQSZACIVSA-N
XLogP0.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95721720
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 103894520
1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 160768600
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
CID 72577389
1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 95105166
1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone
CID 115969554
1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 95445127
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone (CID 95716273) is 1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(N2CCN[C@@H](C(=O)N3CCCC3)C2)nc1.
What is the InChIKey of 1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is ANNJLUVTWDLFFS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(21)13-4-5-15(18-10-13)20-9-6-17-14(11-20)16(22)19-7-2-3-8-19/h4-5,10,14,17H,2-3,6-9,11H2,1H3/t14-/m1/s1.
What are the key properties of 1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone?
1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 302.38 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 95716273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).