2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide

C20H21N5O2 — CID 97269284

IUPAC2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1
InChIInChI=1S/C20H21N5O2/c21-18(26)13-24-9-7-22-19(24)15-5-3-8-25(12-15)20(27)16-10-14-4-1-2-6-17(14)23-11-16/h1-2,4,6-7,9-11,15H,3,5,8,12-13H2,(H2,21,26)/t15-/m0/s1
InChIKeyAGLJJOKDKXSTQM-HNNXBMFYSA-N
MW363.42 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97269284) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97269284
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1
InChIInChI=1S/C20H21N5O2/c21-18(26)13-24-9-7-22-19(24)15-5-3-8-25(12-15)20(27)16-10-14-4-1-2-6-17(14)23-11-16/h1-2,4,6-7,9-11,15H,3,5,8,12-13H2,(H2,21,26)/t15-/m0/s1
InChIKeyAGLJJOKDKXSTQM-HNNXBMFYSA-N
XLogP1.94
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 70781771
2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72914128
2-[2-[(3S)-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282137
2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97273673
2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97285996
2-[2-[(3R)-1-(2-propoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97280164
2-[2-[1-(4-chloro-2-methylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878743
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[(3S)-1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270117
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 72858370
2-[2-[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97275991

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 97269284) is 2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1.
What is the InChIKey of 2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is AGLJJOKDKXSTQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-18(26)13-24-9-7-22-19(24)15-5-3-8-25(12-15)20(27)16-10-14-4-1-2-6-17(14)23-11-16/h1-2,4,6-7,9-11,15H,3,5,8,12-13H2,(H2,21,26)/t15-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97269284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).