[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone

C19H32N4O — CID 95353974

IUPAC[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
SMILESCCCN1CCC[C@H]1C(=O)N1CCC[C@H](n2ccnc2C(C)C)C1
InChIInChI=1S/C19H32N4O/c1-4-10-21-11-6-8-17(21)19(24)22-12-5-7-16(14-22)23-13-9-20-18(23)15(2)3/h9,13,15-17H,4-8,10-12,14H2,1-3H3/t16-,17-/m0/s1
InChIKeyJVFLPFFXCOVRMI-IRXDYDNUSA-N
MW332.49 g/mol
LogP3.04
Rot. Bonds5

About [(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone

[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone (PubChem CID 95353974) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is [(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
PubChem CID95353974
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
SMILESCCCN1CCC[C@H]1C(=O)N1CCC[C@H](n2ccnc2C(C)C)C1
InChIInChI=1S/C19H32N4O/c1-4-10-21-11-6-8-17(21)19(24)22-12-5-7-16(14-22)23-13-9-20-18(23)15(2)3/h9,13,15-17H,4-8,10-12,14H2,1-3H3/t16-,17-/m0/s1
InChIKeyJVFLPFFXCOVRMI-IRXDYDNUSA-N
XLogP3.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95336356
[(2R)-oxolan-2-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95349495
1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606682
1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606683
[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95343896
N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95343954
(2R)-2-morpholin-4-yl-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95337848
2-methyl-6-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 95736313
2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343024
3-[(2S)-oxolan-2-yl]-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95352561
2H-benzotriazol-5-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343023
1-[(2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606561

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone?
The IUPAC name of [(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone (CID 95353974) is [(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone?
The canonical SMILES for [(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone is CCCN1CCC[C@H]1C(=O)N1CCC[C@H](n2ccnc2C(C)C)C1.
What is the InChIKey of [(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone?
The InChIKey is JVFLPFFXCOVRMI-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H32N4O/c1-4-10-21-11-6-8-17(21)19(24)22-12-5-7-16(14-22)23-13-9-20-18(23)15(2)3/h9,13,15-17H,4-8,10-12,14H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of [(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone?
[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone has a molecular weight of 332.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 95353974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).