[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone

C18H24N4O2S — CID 97155054

IUPAC[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)c2ccc([C@@H]3CCCO3)s2)CC1
InChIInChI=1S/C18H24N4O2S/c1-20-7-6-19-17(20)13-21-8-10-22(11-9-21)18(23)16-5-4-15(25-16)14-3-2-12-24-14/h4-7,14H,2-3,8-13H2,1H3/t14-/m0/s1
InChIKeyDHAUYKGZOIFJMW-AWEZNQCLSA-N
MW360.48 g/mol
LogP2.29
Rot. Bonds4

About [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone (PubChem CID 97155054) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
PubChem CID97155054
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)c2ccc([C@@H]3CCCO3)s2)CC1
InChIInChI=1S/C18H24N4O2S/c1-20-7-6-19-17(20)13-21-8-10-22(11-9-21)18(23)16-5-4-15(25-16)14-3-2-12-24-14/h4-7,14H,2-3,8-13H2,1H3/t14-/m0/s1
InChIKeyDHAUYKGZOIFJMW-AWEZNQCLSA-N
XLogP2.29
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97155055
1-[(1-methylimidazol-2-yl)methyl]-4-[[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 99951233
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95896182
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95131723
1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95337939
[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72842150
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 119064859
(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 121450338
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 72931187
1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95525281
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91840823
(4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
CID 31054211

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
The IUPAC name of [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone (CID 97155054) is [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone.
What is the SMILES notation for [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
The canonical SMILES for [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone is Cn1ccnc1CN1CCN(C(=O)c2ccc([C@@H]3CCCO3)s2)CC1.
What is the InChIKey of [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
The InChIKey is DHAUYKGZOIFJMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-20-7-6-19-17(20)13-21-8-10-22(11-9-21)18(23)16-5-4-15(25-16)14-3-2-12-24-14/h4-7,14H,2-3,8-13H2,1H3/t14-/m0/s1.
What are the key properties of [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone has a molecular weight of 360.48 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 97155054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).