(2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate

C16H24N4O5 — CID 123159924

IUPAC(2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate
SMILESO=C(CN1CCCCC1)N1CCN(C(=O)On2c(O)ccc2O)CC1
InChIInChI=1S/C16H24N4O5/c21-13-4-5-14(22)20(13)25-16(24)19-10-8-18(9-11-19)15(23)12-17-6-2-1-3-7-17/h4-5,21-22H,1-3,6-12H2
InChIKeyBTXNMHJWDAYMBQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.08
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate

(2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate (PubChem CID 123159924) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate
PubChem CID123159924
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate
SMILESO=C(CN1CCCCC1)N1CCN(C(=O)On2c(O)ccc2O)CC1
InChIInChI=1S/C16H24N4O5/c21-13-4-5-14(22)20(13)25-16(24)19-10-8-18(9-11-19)15(23)12-17-6-2-1-3-7-17/h4-5,21-22H,1-3,6-12H2
InChIKeyBTXNMHJWDAYMBQ-UHFFFAOYSA-N
XLogP0.08
TPSA98.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 119876027
2-[4-(phenoxymethyl)-1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 155990479
(2,5-dihydroxypyrrol-1-yl) 2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetate
CID 123238025
4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid
CID 141382858
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
2-(4-cyclopropylidenepiperidin-1-yl)-1-piperidin-1-ylethanone
CID 121184194
2-(4-aminophenyl)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119836881

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate (CID 123159924) is (2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate is O=C(CN1CCCCC1)N1CCN(C(=O)On2c(O)ccc2O)CC1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate?
The InChIKey is BTXNMHJWDAYMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5/c21-13-4-5-14(22)20(13)25-16(24)19-10-8-18(9-11-19)15(23)12-17-6-2-1-3-7-17/h4-5,21-22H,1-3,6-12H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate?
(2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 4-(2-piperidin-1-ylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 123159924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).