1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one

C20H33N5O2 — CID 97272208

IUPAC1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one
SMILESCN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C20H33N5O2/c1-22(2)13-14-23-12-9-21-20(23)17-7-6-11-24(15-17)19(27)16-25-10-5-3-4-8-18(25)26/h9,12,17H,3-8,10-11,13-16H2,1-2H3/t17-/m1/s1
InChIKeyIJBJMCNUNYPHOA-QGZVFWFLSA-N
MW375.52 g/mol
LogP1.55
Rot. Bonds6

About 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one

1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one (PubChem CID 97272208) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one
PubChem CID97272208
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one
SMILESCN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C20H33N5O2/c1-22(2)13-14-23-12-9-21-20(23)17-7-6-11-24(15-17)19(27)16-25-10-5-3-4-8-18(25)26/h9,12,17H,3-8,10-11,13-16H2,1-2H3/t17-/m1/s1
InChIKeyIJBJMCNUNYPHOA-QGZVFWFLSA-N
XLogP1.55
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one with MolForge

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Related Compounds

1-[2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
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CID 97187760
1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
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1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 45189605
1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
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1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 72874438
1-[2-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 124997145
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone
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1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72895055
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
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CID 97268736
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one (CID 97272208) is 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one is CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1.
What is the InChIKey of 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The InChIKey is IJBJMCNUNYPHOA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-22(2)13-14-23-12-9-21-20(23)17-7-6-11-24(15-17)19(27)16-25-10-5-3-4-8-18(25)26/h9,12,17H,3-8,10-11,13-16H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one?
1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one has a molecular weight of 375.52 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 97272208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).