1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

C17H26N4O2 — CID 110104108

IUPAC1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCCC(c3ncc(C)[nH]3)C2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-10-18-16(19-12)15-4-3-7-21(11-15)17(23)14-5-8-20(9-6-14)13(2)22/h10,14-15H,3-9,11H2,1-2H3,(H,18,19)
InChIKeyZWNKNIVSQARSSR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.68
Rot. Bonds2

About 1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110104108) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110104108
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCCC(c3ncc(C)[nH]3)C2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-10-18-16(19-12)15-4-3-7-21(11-15)17(23)14-5-8-20(9-6-14)13(2)22/h10,14-15H,3-9,11H2,1-2H3,(H,18,19)
InChIKeyZWNKNIVSQARSSR-UHFFFAOYSA-N
XLogP1.68
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124962539
(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124949617
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 124967286
2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124960108
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012156
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012155
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125022774
1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 110104109
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124955112
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 124997724

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 110104108) is 1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCCC(c3ncc(C)[nH]3)C2)CC1.
What is the InChIKey of 1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is ZWNKNIVSQARSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-10-18-16(19-12)15-4-3-7-21(11-15)17(23)14-5-8-20(9-6-14)13(2)22/h10,14-15H,3-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110104108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).