6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C20H29N5O4 — CID 56876257

IUPAC6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H29N5O4/c26-17-12-16(21-20(29)22-17)19(28)24-10-5-15(6-11-24)25-9-3-4-14(13-25)18(27)23-7-1-2-8-23/h12,14-15H,1-11,13H2,(H2,21,22,26,29)
InChIKeyUOAREGNDICMZTD-UHFFFAOYSA-N
MW403.48 g/mol
LogP0.00
Rot. Bonds3

About 6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 56876257) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID56876257
Molecular FormulaC20H29N5O4
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC Name6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H29N5O4/c26-17-12-16(21-20(29)22-17)19(28)24-10-5-15(6-11-24)25-9-3-4-14(13-25)18(27)23-7-1-2-8-23/h12,14-15H,1-11,13H2,(H2,21,22,26,29)
InChIKeyUOAREGNDICMZTD-UHFFFAOYSA-N
XLogP0.00
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 56876257) is 6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of 6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UOAREGNDICMZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4/c26-17-12-16(21-20(29)22-17)19(28)24-10-5-15(6-11-24)25-9-3-4-14(13-25)18(27)23-7-1-2-8-23/h12,14-15H,1-11,13H2,(H2,21,22,26,29).
What are the key properties of 6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 403.48 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56876257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).