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

C20H27N5O — CID 134792844

IUPAC6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(Cc3ccc(N(C)C)cc3)CC1)C2
InChIInChI=1S/C20H27N5O/c1-15-21-12-19-14-24(20(26)25(15)19)18-8-10-23(11-9-18)13-16-4-6-17(7-5-16)22(2)3/h4-7,12,18H,8-11,13-14H2,1-3H3
InChIKeyUVTOEGWUXJBNPR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.71
Rot. Bonds4

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

6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 134792844) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID134792844
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(Cc3ccc(N(C)C)cc3)CC1)C2
InChIInChI=1S/C20H27N5O/c1-15-21-12-19-14-24(20(26)25(15)19)18-8-10-23(11-9-18)13-16-4-6-17(7-5-16)22(2)3/h4-7,12,18H,8-11,13-14H2,1-3H3
InChIKeyUVTOEGWUXJBNPR-UHFFFAOYSA-N
XLogP2.71
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (CID 134792844) is 6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(C1CCN(Cc3ccc(N(C)C)cc3)CC1)C2.
What is the InChIKey of 6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is UVTOEGWUXJBNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-21-12-19-14-24(20(26)25(15)19)18-8-10-23(11-9-18)13-16-4-6-17(7-5-16)22(2)3/h4-7,12,18H,8-11,13-14H2,1-3H3.
What are the key properties of 6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 353.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 134792844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).