2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone

C20H25N3O2 — CID 97082927

IUPAC2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COCC1CC1)N1CCC[C@H](c2ncc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C20H25N3O2/c24-19(14-25-13-15-8-9-15)23-10-4-7-17(12-23)20-21-11-18(22-20)16-5-2-1-3-6-16/h1-3,5-6,11,15,17H,4,7-10,12-14H2,(H,21,22)/t17-/m0/s1
InChIKeySLMZKQCFZXAVRB-KRWDZBQOSA-N
MW339.44 g/mol
LogP3.21
Rot. Bonds6

About 2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone

2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 97082927) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID97082927
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COCC1CC1)N1CCC[C@H](c2ncc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C20H25N3O2/c24-19(14-25-13-15-8-9-15)23-10-4-7-17(12-23)20-21-11-18(22-20)16-5-2-1-3-6-16/h1-3,5-6,11,15,17H,4,7-10,12-14H2,(H,21,22)/t17-/m0/s1
InChIKeySLMZKQCFZXAVRB-KRWDZBQOSA-N
XLogP3.21
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one
CID 10157055
(2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 97025677
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95896011
2-methoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192169
2-(cyclopropylmethoxy)-1-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 96514333
2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 167807274
1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 39044468
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
3,5-difluoro-4-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]benzonitrile
CID 133430705
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
2-(2-phenylethoxy)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95768623
2-methyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133430723

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 97082927) is 2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone is O=C(COCC1CC1)N1CCC[C@H](c2ncc(-c3ccccc3)[nH]2)C1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is SLMZKQCFZXAVRB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(14-25-13-15-8-9-15)23-10-4-7-17(12-23)20-21-11-18(22-20)16-5-2-1-3-6-16/h1-3,5-6,11,15,17H,4,7-10,12-14H2,(H,21,22)/t17-/m0/s1.
What are the key properties of 2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97082927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).