(2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone

C17H29N3O2 — CID 96568845

IUPAC(2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone
SMILESCC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(C(C)C)[nH]1
InChIInChI=1S/C17H29N3O2/c1-12(2)16-18-11-15(19-16)17(21)20-9-6-5-7-14(20)8-10-22-13(3)4/h11-14H,5-10H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyUXCFFSIYFPYMBB-AWEZNQCLSA-N
MW307.44 g/mol
LogP3.34
Rot. Bonds6

About (2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone

(2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone (PubChem CID 96568845) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone
PubChem CID96568845
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone
SMILESCC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(C(C)C)[nH]1
InChIInChI=1S/C17H29N3O2/c1-12(2)16-18-11-15(19-16)17(21)20-9-6-5-7-14(20)8-10-22-13(3)4/h11-14H,5-10H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyUXCFFSIYFPYMBB-AWEZNQCLSA-N
XLogP3.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 97018683
2-(1-hydroxycyclopentyl)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 71984280
2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide
CID 166281061
(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine
CID 96516255
(2-ethyl-1H-imidazol-5-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111781389
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one;hydrochloride
CID 119649266
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 96576442
[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 113436394
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone (CID 96568845) is (2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone is CC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(C(C)C)[nH]1.
What is the InChIKey of (2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone?
The InChIKey is UXCFFSIYFPYMBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)16-18-11-15(19-16)17(21)20-9-6-5-7-14(20)8-10-22-13(3)4/h11-14H,5-10H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone?
(2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone has a molecular weight of 307.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 96568845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).