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

C13H23N5O — CID 66854224

IUPAC2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN(C)CN1C=C2C(=O)N(C3CCNCC3)CN2C1
InChIInChI=1S/C13H23N5O/c1-15(2)8-16-7-12-13(19)18(10-17(12)9-16)11-3-5-14-6-4-11/h7,11,14H,3-6,8-10H2,1-2H3
InChIKeyCNQRHJGPZYNLRX-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.53
Rot. Bonds3

About 2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one

2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one (PubChem CID 66854224) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
PubChem CID66854224
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN(C)CN1C=C2C(=O)N(C3CCNCC3)CN2C1
InChIInChI=1S/C13H23N5O/c1-15(2)8-16-7-12-13(19)18(10-17(12)9-16)11-3-5-14-6-4-11/h7,11,14H,3-6,8-10H2,1-2H3
InChIKeyCNQRHJGPZYNLRX-UHFFFAOYSA-N
XLogP-0.53
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The IUPAC name of 2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one (CID 66854224) is 2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one is CN(C)CN1C=C2C(=O)N(C3CCNCC3)CN2C1.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The InChIKey is CNQRHJGPZYNLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-15(2)8-16-7-12-13(19)18(10-17(12)9-16)11-3-5-14-6-4-11/h7,11,14H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one has a molecular weight of 265.36 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one is sourced from PubChem (CID 66854224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).