3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one

C13H21N5O — CID 66854223

IUPAC3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCN(C)Cc1ncc2n1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C13H21N5O/c1-16(2)9-12-15-7-11-8-17(13(19)18(11)12)10-3-5-14-6-4-10/h7,10,14H,3-6,8-9H2,1-2H3
InChIKeyWQGYIGUVJCRUGZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.48
Rot. Bonds3

About 3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one

3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 66854223) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID66854223
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCN(C)Cc1ncc2n1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C13H21N5O/c1-16(2)9-12-15-7-11-8-17(13(19)18(11)12)10-3-5-14-6-4-10/h7,10,14H,3-6,8-9H2,1-2H3
InChIKeyWQGYIGUVJCRUGZ-UHFFFAOYSA-N
XLogP0.48
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one (CID 66854223) is 3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one is CN(C)Cc1ncc2n1C(=O)N(C1CCNCC1)C2.
What is the InChIKey of 3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is WQGYIGUVJCRUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-16(2)9-12-15-7-11-8-17(13(19)18(11)12)10-3-5-14-6-4-10/h7,10,14H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 263.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 66854223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).