1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one

C17H26N4O2 — CID 110104109

IUPAC1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
SMILESCc1cnc(C2CCCN(C(=O)CN3CCCCCC3=O)C2)[nH]1
InChIInChI=1S/C17H26N4O2/c1-13-10-18-17(19-13)14-6-5-9-20(11-14)16(23)12-21-8-4-2-3-7-15(21)22/h10,14H,2-9,11-12H2,1H3,(H,18,19)
InChIKeySZXCRPGASDFKKX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.83
Rot. Bonds3

About 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one

1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one (PubChem CID 110104109) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
PubChem CID110104109
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
SMILESCc1cnc(C2CCCN(C(=O)CN3CCCCCC3=O)C2)[nH]1
InChIInChI=1S/C17H26N4O2/c1-13-10-18-17(19-13)14-6-5-9-20(11-14)16(23)12-21-8-4-2-3-7-15(21)22/h10,14H,2-9,11-12H2,1H3,(H,18,19)
InChIKeySZXCRPGASDFKKX-UHFFFAOYSA-N
XLogP1.83
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one with MolForge

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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-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124960108
1-[2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127247469
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 124997724
1-[2-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 124997145
1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 110104199
1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110104108
3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110104195
1-[2-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 124990216
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124998813
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one (CID 110104109) is 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one is Cc1cnc(C2CCCN(C(=O)CN3CCCCCC3=O)C2)[nH]1.
What is the InChIKey of 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The InChIKey is SZXCRPGASDFKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-10-18-17(19-13)14-6-5-9-20(11-14)16(23)12-21-8-4-2-3-7-15(21)22/h10,14H,2-9,11-12H2,1H3,(H,18,19).
What are the key properties of 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one has a molecular weight of 318.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 110104109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).