2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide

C18H22N4O3 — CID 95327827

IUPAC2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESCc1nccn1[C@H]1CCCN(C(=O)c2cccc(OCC(N)=O)c2)C1
InChIInChI=1S/C18H22N4O3/c1-13-20-7-9-22(13)15-5-3-8-21(11-15)18(24)14-4-2-6-16(10-14)25-12-17(19)23/h2,4,6-7,9-10,15H,3,5,8,11-12H2,1H3,(H2,19,23)/t15-/m0/s1
InChIKeyGOBORKPEMAPDPO-HNNXBMFYSA-N
MW342.40 g/mol
LogP1.53
Rot. Bonds5

About 2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide

2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide (PubChem CID 95327827) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
PubChem CID95327827
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESCc1nccn1[C@H]1CCCN(C(=O)c2cccc(OCC(N)=O)c2)C1
InChIInChI=1S/C18H22N4O3/c1-13-20-7-9-22(13)15-5-3-8-21(11-15)18(24)14-4-2-6-16(10-14)25-12-17(19)23/h2,4,6-7,9-10,15H,3,5,8,11-12H2,1H3,(H2,19,23)/t15-/m0/s1
InChIKeyGOBORKPEMAPDPO-HNNXBMFYSA-N
XLogP1.53
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343180
4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one
CID 95340546
1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95335476
[6-(dimethylamino)-3-pyridinyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343515
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 95332115
(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326513
2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide
CID 72902558
2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
CID 124589501
2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 45207852
2-cyclopentyloxy-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95329474
2H-benzotriazol-5-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343023
2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343024

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide (CID 95327827) is 2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide is Cc1nccn1[C@H]1CCCN(C(=O)c2cccc(OCC(N)=O)c2)C1.
What is the InChIKey of 2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is GOBORKPEMAPDPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-20-7-9-22(13)15-5-3-8-21(11-15)18(24)14-4-2-6-16(10-14)25-12-17(19)23/h2,4,6-7,9-10,15H,3,5,8,11-12H2,1H3,(H2,19,23)/t15-/m0/s1.
What are the key properties of 2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide?
2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 95327827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).