(2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate

C12H19N3O4 — CID 91156992

IUPAC(2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate
SMILESO=C(NCCN1CCCCC1)On1c(O)ccc1O
InChIInChI=1S/C12H19N3O4/c16-10-4-5-11(17)15(10)19-12(18)13-6-9-14-7-2-1-3-8-14/h4-5,16-17H,1-3,6-9H2,(H,13,18)
InChIKeyZDJCKABBJJXJAT-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.52
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate

(2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate (PubChem CID 91156992) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate
PubChem CID91156992
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate
SMILESO=C(NCCN1CCCCC1)On1c(O)ccc1O
InChIInChI=1S/C12H19N3O4/c16-10-4-5-11(17)15(10)19-12(18)13-6-9-14-7-2-1-3-8-14/h4-5,16-17H,1-3,6-9H2,(H,13,18)
InChIKeyZDJCKABBJJXJAT-UHFFFAOYSA-N
XLogP0.52
TPSA86.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
(2,5-Dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 90957654
(2,5-Dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 91465498
(2,5-Dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
CID 123612673
1-(Piperidin-4-ylmethyl)pyrrole-2,5-diol
CID 53633036
(2,5-Dihydroxypyrrol-1-yl) 6-formamidohexanoate
CID 53633447
(2,5-Dihydroxypyrrol-1-yl) 4-[(2-iodoacetyl)amino]butanoate
CID 53697571
(2,5-Dihydroxypyrrol-1-yl) 4-[6-(prop-2-enoylamino)hexanoylamino]butanoate
CID 53710762
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
(2,5-Dihydroxypyrrol-1-yl) 6-[(2-iodoacetyl)amino]hexanoate
CID 53775544
(2,5-Dihydroxypyrrol-1-yl) 2-acetamidoacetate
CID 53922588
tert-butyl N-[(2S)-1-[(2,5-dihydroxypyrrol-1-yl)oxycarbonylamino]propan-2-yl]carbamate
CID 53964961

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate (CID 91156992) is (2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate is O=C(NCCN1CCCCC1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate?
The InChIKey is ZDJCKABBJJXJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10-4-5-11(17)15(10)19-12(18)13-6-9-14-7-2-1-3-8-14/h4-5,16-17H,1-3,6-9H2,(H,13,18).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate?
(2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate has a molecular weight of 269.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) N-(2-piperidin-1-ylethyl)carbamate is sourced from PubChem (CID 91156992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).