5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide

C15H22N6O — CID 172675074

IUPAC5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2nc([C@H]3CCCNC3)[nH]c2C)[nH]1
InChIInChI=1S/C15H22N6O/c1-9-13(15(22)18-8-12-7-17-10(2)20-12)21-14(19-9)11-4-3-5-16-6-11/h7,11,16H,3-6,8H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/t11-/m0/s1
InChIKeyZVEYJTBRDUORTQ-NSHDSACASA-N
MW302.38 g/mol
LogP1.15
Rot. Bonds4

About 5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide

5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide (PubChem CID 172675074) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide
PubChem CID172675074
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2nc([C@H]3CCCNC3)[nH]c2C)[nH]1
InChIInChI=1S/C15H22N6O/c1-9-13(15(22)18-8-12-7-17-10(2)20-12)21-14(19-9)11-4-3-5-16-6-11/h7,11,16H,3-6,8H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/t11-/m0/s1
InChIKeyZVEYJTBRDUORTQ-NSHDSACASA-N
XLogP1.15
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide (CID 172675074) is 5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide is Cc1ncc(CNC(=O)c2nc([C@H]3CCCNC3)[nH]c2C)[nH]1.
What is the InChIKey of 5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide?
The InChIKey is ZVEYJTBRDUORTQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N6O/c1-9-13(15(22)18-8-12-7-17-10(2)20-12)21-14(19-9)11-4-3-5-16-6-11/h7,11,16H,3-6,8H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/t11-/m0/s1.
What are the key properties of 5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide?
5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 172675074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).