1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one

C17H21N3O2 — CID 70777410

IUPAC1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C17H21N3O2/c21-16(8-12-22-15-6-2-1-3-7-15)20-11-4-5-14(13-20)17-18-9-10-19-17/h1-3,6-7,9-10,14H,4-5,8,11-13H2,(H,18,19)
InChIKeyHQLQZNJXQFWLKL-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.58
Rot. Bonds5

About 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one

1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 70777410) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID70777410
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C17H21N3O2/c21-16(8-12-22-15-6-2-1-3-7-15)20-11-4-5-14(13-20)17-18-9-10-19-17/h1-3,6-7,9-10,14H,4-5,8,11-13H2,(H,18,19)
InChIKeyHQLQZNJXQFWLKL-UHFFFAOYSA-N
XLogP2.58
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-3-phenoxypropan-1-one
CID 9861608
4-((1H-imidazol-4-yl)methyl)-1-(3-phenoxypropyl)piperidine
CID 9948238
1-[3-[4-(1H-imidazol-2-yl)phenoxy]propyl]piperidine
CID 56678518
1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine
CID 50983126
1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine
CID 56905139
1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine
CID 56914073
1-[2-(2-Ethoxyethoxy)benzoyl]-3-(1H-imidazol-2-YL)piperidine
CID 70710484
1-[3-(1H-imidazol-1-yl)propanoyl]-3-[(3-methoxyphenoxy)methyl]piperidine
CID 70713961
1-[(2-ethoxyphenyl)acetyl]-3-(1H-imidazol-2-yl)piperidine
CID 70757337
3-(2-fluorophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72149665
3-(3-fluorophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72149717
3-(4-methylphenoxy)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72149752

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one (CID 70777410) is 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is HQLQZNJXQFWLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16(8-12-22-15-6-2-1-3-7-15)20-11-4-5-14(13-20)17-18-9-10-19-17/h1-3,6-7,9-10,14H,4-5,8,11-13H2,(H,18,19).
What are the key properties of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one?
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 70777410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).