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

C20H29N5O3 — CID 95211522

IUPAC5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H29N5O3/c26-18-13-21-17(12-22-18)20(28)24-10-5-16(6-11-24)25-9-3-4-15(14-25)19(27)23-7-1-2-8-23/h12-13,15-16H,1-11,14H2,(H,22,26)/t15-/m1/s1
InChIKeyGNTJALRTKICBMN-OAHLLOKOSA-N
MW387.48 g/mol
LogP0.71
Rot. Bonds3

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

5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 95211522) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID95211522
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H29N5O3/c26-18-13-21-17(12-22-18)20(28)24-10-5-16(6-11-24)25-9-3-4-15(14-25)19(27)23-7-1-2-8-23/h12-13,15-16H,1-11,14H2,(H,22,26)/t15-/m1/s1
InChIKeyGNTJALRTKICBMN-OAHLLOKOSA-N
XLogP0.71
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 95211522) is 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is GNTJALRTKICBMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N5O3/c26-18-13-21-17(12-22-18)20(28)24-10-5-16(6-11-24)25-9-3-4-15(14-25)19(27)23-7-1-2-8-23/h12-13,15-16H,1-11,14H2,(H,22,26)/t15-/m1/s1.
What are the key properties of 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 387.48 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 95211522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).