2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide

C20H21N5O3 — CID 97285996

IUPAC2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[nH]2)C1
InChIInChI=1S/C20H21N5O3/c21-18(27)12-24-9-7-22-19(24)13-4-3-8-25(11-13)20(28)16-10-17(26)14-5-1-2-6-15(14)23-16/h1-2,5-7,9-10,13H,3-4,8,11-12H2,(H2,21,27)(H,23,26)/t13-/m1/s1
InChIKeyQJOKGQOKFMPYPU-CYBMUJFWSA-N
MW379.42 g/mol
LogP1.23
Rot. Bonds4

About 2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97285996) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97285996
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[nH]2)C1
InChIInChI=1S/C20H21N5O3/c21-18(27)12-24-9-7-22-19(24)13-4-3-8-25(11-13)20(28)16-10-17(26)14-5-1-2-6-15(14)23-16/h1-2,5-7,9-10,13H,3-4,8,11-12H2,(H2,21,27)(H,23,26)/t13-/m1/s1
InChIKeyQJOKGQOKFMPYPU-CYBMUJFWSA-N
XLogP1.23
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 72898151
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 96580791
2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269284
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-[(3S)-1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270117
2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72855517
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-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 97285996) is 2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[nH]2)C1.
What is the InChIKey of 2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is QJOKGQOKFMPYPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N5O3/c21-18(27)12-24-9-7-22-19(24)13-4-3-8-25(11-13)20(28)16-10-17(26)14-5-1-2-6-15(14)23-16/h1-2,5-7,9-10,13H,3-4,8,11-12H2,(H2,21,27)(H,23,26)/t13-/m1/s1.
What are the key properties of 2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-1-(4-oxo-1H-quinoline-2-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97285996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).