3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one

C18H30N4O — CID 92632378

IUPAC3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1nccn1CCC(=O)N1CCC([C@@H]2CCCCN2C)CC1
InChIInChI=1S/C18H30N4O/c1-15-19-9-14-21(15)13-8-18(23)22-11-6-16(7-12-22)17-5-3-4-10-20(17)2/h9,14,16-17H,3-8,10-13H2,1-2H3/t17-/m0/s1
InChIKeyOZUOXNDRZQLKCY-KRWDZBQOSA-N
MW318.46 g/mol
LogP2.30
Rot. Bonds4

About 3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one

3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 92632378) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID92632378
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1nccn1CCC(=O)N1CCC([C@@H]2CCCCN2C)CC1
InChIInChI=1S/C18H30N4O/c1-15-19-9-14-21(15)13-8-18(23)22-11-6-16(7-12-22)17-5-3-4-10-20(17)2/h9,14,16-17H,3-8,10-13H2,1-2H3/t17-/m0/s1
InChIKeyOZUOXNDRZQLKCY-KRWDZBQOSA-N
XLogP2.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one (CID 92632378) is 3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one is Cc1nccn1CCC(=O)N1CCC([C@@H]2CCCCN2C)CC1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is OZUOXNDRZQLKCY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15-19-9-14-21(15)13-8-18(23)22-11-6-16(7-12-22)17-5-3-4-10-20(17)2/h9,14,16-17H,3-8,10-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one?
3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 318.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92632378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).