4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C13H21N5O2 — CID 80553929

IUPAC4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESNC1CCN(C2CCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CC1
InChIInChI=1S/C13H21N5O2/c14-9-1-4-17(5-2-9)10-3-6-18(8-10)12(19)11-7-15-13(20)16-11/h7,9-10H,1-6,8,14H2,(H2,15,16,20)
InChIKeyWMLWYJBPRHQSLJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.66
Rot. Bonds2

About 4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 80553929) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID80553929
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESNC1CCN(C2CCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CC1
InChIInChI=1S/C13H21N5O2/c14-9-1-4-17(5-2-9)10-3-6-18(8-10)12(19)11-7-15-13(20)16-11/h7,9-10H,1-6,8,14H2,(H2,15,16,20)
InChIKeyWMLWYJBPRHQSLJ-UHFFFAOYSA-N
XLogP-0.66
TPSA98.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 80553929) is 4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CC1.
What is the InChIKey of 4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is WMLWYJBPRHQSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c14-9-1-4-17(5-2-9)10-3-6-18(8-10)12(19)11-7-15-13(20)16-11/h7,9-10H,1-6,8,14H2,(H2,15,16,20).
What are the key properties of 4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 279.34 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 80553929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).