4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one

C13H20N4O2 — CID 54885852

IUPAC4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H20N4O2/c18-12(11-7-15-13(19)16-11)17-6-2-3-9(8-17)10-4-1-5-14-10/h7,9-10,14H,1-6,8H2,(H2,15,16,19)
InChIKeyMHHZSYPCIGIYAT-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.31
Rot. Bonds2

About 4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one

4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 54885852) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID54885852
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H20N4O2/c18-12(11-7-15-13(19)16-11)17-6-2-3-9(8-17)10-4-1-5-14-10/h7,9-10,14H,1-6,8H2,(H2,15,16,19)
InChIKeyMHHZSYPCIGIYAT-UHFFFAOYSA-N
XLogP0.31
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one (CID 54885852) is 4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is MHHZSYPCIGIYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-12(11-7-15-13(19)16-11)17-6-2-3-9(8-17)10-4-1-5-14-10/h7,9-10,14H,1-6,8H2,(H2,15,16,19).
What are the key properties of 4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 54885852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).