3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide

C17H23N5O2 — CID 71915884

IUPAC3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCn1ccnc1CC1CCCN(C(=O)Nc2cccn(C)c2=O)C1
InChIInChI=1S/C17H23N5O2/c1-20-10-7-18-15(20)11-13-5-3-9-22(12-13)17(24)19-14-6-4-8-21(2)16(14)23/h4,6-8,10,13H,3,5,9,11-12H2,1-2H3,(H,19,24)
InChIKeyZGCIFDZJWWKSND-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.61
Rot. Bonds3

About 3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide

3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 71915884) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
PubChem CID71915884
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCn1ccnc1CC1CCCN(C(=O)Nc2cccn(C)c2=O)C1
InChIInChI=1S/C17H23N5O2/c1-20-10-7-18-15(20)11-13-5-3-9-22(12-13)17(24)19-14-6-4-8-21(2)16(14)23/h4,6-8,10,13H,3,5,9,11-12H2,1-2H3,(H,19,24)
InChIKeyZGCIFDZJWWKSND-UHFFFAOYSA-N
XLogP1.61
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide (CID 71915884) is 3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide is Cn1ccnc1CC1CCCN(C(=O)Nc2cccn(C)c2=O)C1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is ZGCIFDZJWWKSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20-10-7-18-15(20)11-13-5-3-9-22(12-13)17(24)19-14-6-4-8-21(2)16(14)23/h4,6-8,10,13H,3,5,9,11-12H2,1-2H3,(H,19,24).
What are the key properties of 3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 71915884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).