N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide

C18H26N6O2 — CID 164639107

IUPACN-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N1CCC[C@H](N(C)C(=O)c2cnc(C)n2C)C1
InChIInChI=1S/C18H26N6O2/c1-12-15(11-21(3)20-12)17(25)24-8-6-7-14(10-24)23(5)18(26)16-9-19-13(2)22(16)4/h9,11,14H,6-8,10H2,1-5H3/t14-/m0/s1
InChIKeyRXGCEFZDRXOUFU-AWEZNQCLSA-N
MW358.45 g/mol
LogP1.15
Rot. Bonds3

About N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide

N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide (PubChem CID 164639107) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide
PubChem CID164639107
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N1CCC[C@H](N(C)C(=O)c2cnc(C)n2C)C1
InChIInChI=1S/C18H26N6O2/c1-12-15(11-21(3)20-12)17(25)24-8-6-7-14(10-24)23(5)18(26)16-9-19-13(2)22(16)4/h9,11,14H,6-8,10H2,1-5H3/t14-/m0/s1
InChIKeyRXGCEFZDRXOUFU-AWEZNQCLSA-N
XLogP1.15
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide (CID 164639107) is N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide is Cc1nn(C)cc1C(=O)N1CCC[C@H](N(C)C(=O)c2cnc(C)n2C)C1.
What is the InChIKey of N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide?
The InChIKey is RXGCEFZDRXOUFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12-15(11-21(3)20-12)17(25)24-8-6-7-14(10-24)23(5)18(26)16-9-19-13(2)22(16)4/h9,11,14H,6-8,10H2,1-5H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide?
N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,2,3-trimethylimidazole-4-carboxamide is sourced from PubChem (CID 164639107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).