3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide

C17H30N4O — CID 125177821

IUPAC3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)NCC[C@@H]1CCCCN1CC(C)C
InChIInChI=1S/C17H30N4O/c1-13(2)11-21-10-6-5-7-15(21)8-9-18-17(22)16-14(3)19-12-20(16)4/h12-13,15H,5-11H2,1-4H3,(H,18,22)/t15-/m0/s1
InChIKeyRIKCDKFTTKPEQK-HNNXBMFYSA-N
MW306.45 g/mol
LogP2.36
Rot. Bonds6

About 3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide

3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide (PubChem CID 125177821) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide
PubChem CID125177821
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)NCC[C@@H]1CCCCN1CC(C)C
InChIInChI=1S/C17H30N4O/c1-13(2)11-21-10-6-5-7-15(21)8-9-18-17(22)16-14(3)19-12-20(16)4/h12-13,15H,5-11H2,1-4H3,(H,18,22)/t15-/m0/s1
InChIKeyRIKCDKFTTKPEQK-HNNXBMFYSA-N
XLogP2.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide
CID 125161016
N-[2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 125156899
N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide
CID 126437543
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440
3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
CID 125448591
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
1-methyl-3-[2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
CID 126449363
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea
CID 126448520
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazo[4,5-b]pyridine-7-carboxamide
CID 155952965
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide (CID 125177821) is 3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide is Cc1ncn(C)c1C(=O)NCC[C@@H]1CCCCN1CC(C)C.
What is the InChIKey of 3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide?
The InChIKey is RIKCDKFTTKPEQK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-13(2)11-21-10-6-5-7-15(21)8-9-18-17(22)16-14(3)19-12-20(16)4/h12-13,15H,5-11H2,1-4H3,(H,18,22)/t15-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide?
3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 125177821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).