5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C21H30N4O3 — CID 56741378

IUPAC5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C21H30N4O3/c26-19-6-5-16(14-22-19)20(27)24-12-7-18(8-13-24)25-11-3-4-17(15-25)21(28)23-9-1-2-10-23/h5-6,14,17-18H,1-4,7-13,15H2,(H,22,26)
InChIKeyLMZCGQGGVJIXLH-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.31
Rot. Bonds3

About 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56741378) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56741378
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C21H30N4O3/c26-19-6-5-16(14-22-19)20(27)24-12-7-18(8-13-24)25-11-3-4-17(15-25)21(28)23-9-1-2-10-23/h5-6,14,17-18H,1-4,7-13,15H2,(H,22,26)
InChIKeyLMZCGQGGVJIXLH-UHFFFAOYSA-N
XLogP1.31
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 56741378) is 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is LMZCGQGGVJIXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c26-19-6-5-16(14-22-19)20(27)24-12-7-18(8-13-24)25-11-3-4-17(15-25)21(28)23-9-1-2-10-23/h5-6,14,17-18H,1-4,7-13,15H2,(H,22,26).
What are the key properties of 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 386.50 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56741378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).