1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone

C16H26N4O2 — CID 167945995

IUPAC1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone
SMILESO=C(COCC1CCNCC1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C16H26N4O2/c21-15(12-22-11-13-1-5-17-6-2-13)20-9-3-14(4-10-20)16-18-7-8-19-16/h7-8,13-14,17H,1-6,9-12H2,(H,18,19)
InChIKeyRUTASUSHAUTNFY-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.13
Rot. Bonds5

About 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone (PubChem CID 167945995) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone
PubChem CID167945995
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone
SMILESO=C(COCC1CCNCC1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C16H26N4O2/c21-15(12-22-11-13-1-5-17-6-2-13)20-9-3-14(4-10-20)16-18-7-8-19-16/h7-8,13-14,17H,1-6,9-12H2,(H,18,19)
InChIKeyRUTASUSHAUTNFY-UHFFFAOYSA-N
XLogP1.13
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-4-ylmethoxy)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 167750901
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 110482691
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 70707253
(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
CID 110470223
2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70739869
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 95895283
4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 70773690

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone (CID 167945995) is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone is O=C(COCC1CCNCC1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone?
The InChIKey is RUTASUSHAUTNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-15(12-22-11-13-1-5-17-6-2-13)20-9-3-14(4-10-20)16-18-7-8-19-16/h7-8,13-14,17H,1-6,9-12H2,(H,18,19).
What are the key properties of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone?
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone has a molecular weight of 306.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone is sourced from PubChem (CID 167945995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).