methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate

C16H22N4O2 — CID 94393972

IUPACmethyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C16H22N4O2/c1-13(16(21)22-2)19-9-7-18(8-10-19)11-14-12-20-6-4-3-5-15(20)17-14/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
InChIKeyVLDIKJXXDOBEIU-ZDUSSCGKSA-N
MW302.38 g/mol
LogP1.01
Rot. Bonds4

About methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate

methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate (PubChem CID 94393972) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
PubChem CID94393972
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Namemethyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C16H22N4O2/c1-13(16(21)22-2)19-9-7-18(8-10-19)11-14-12-20-6-4-3-5-15(20)17-14/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
InChIKeyVLDIKJXXDOBEIU-ZDUSSCGKSA-N
XLogP1.01
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 92764804
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 92766789
3-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120502657
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 78836243
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86915606
2-ethoxy-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 51080863
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 134011276
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 134011388
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate (CID 94393972) is methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate is COC(=O)[C@H](C)N1CCN(Cc2cn3ccccc3n2)CC1.
What is the InChIKey of methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate?
The InChIKey is VLDIKJXXDOBEIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13(16(21)22-2)19-9-7-18(8-10-19)11-14-12-20-6-4-3-5-15(20)17-14/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate?
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate has a molecular weight of 302.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 94393972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).