(2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate

C23H35N3O7 — CID 123443025

IUPAC(2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@@H](C(=O)On3c(O)ccc3O)C2)CC1
InChIInChI=1S/C23H35N3O7/c1-23(2,3)32-22(31)24-13-10-16(11-14-24)6-7-18(27)25-12-4-5-17(15-25)21(30)33-26-19(28)8-9-20(26)29/h8-9,16-17,28-29H,4-7,10-15H2,1-3H3/t17-/m1/s1
InChIKeyMVEPDNDZZJKTEU-QGZVFWFLSA-N
MW465.55 g/mol
LogP2.52
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate

(2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate (PubChem CID 123443025) has the molecular formula C23H35N3O7 and a molecular weight of 465.55 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
PubChem CID123443025
Molecular FormulaC23H35N3O7
Molecular Weight465.55 g/mol
Exact Mass465.25
IUPAC Name(2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@@H](C(=O)On3c(O)ccc3O)C2)CC1
InChIInChI=1S/C23H35N3O7/c1-23(2,3)32-22(31)24-13-10-16(11-14-24)6-7-18(27)25-12-4-5-17(15-25)21(30)33-26-19(28)8-9-20(26)29/h8-9,16-17,28-29H,4-7,10-15H2,1-3H3/t17-/m1/s1
InChIKeyMVEPDNDZZJKTEU-QGZVFWFLSA-N
XLogP2.52
TPSA121.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) 1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
CID 123223311
1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
CID 22611912
tert-butyl 4-[3-[3-[[1-(4-hydroxyphenyl)-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 78055565
tert-butyl 4-[3-[(3R)-3-[[(1S)-1-(benzenesulfonamido)-3-ethoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 18734803
tert-butyl 4-[3-[(3R)-3-[(1-ethoxy-1-oxo-5-phenylpentan-3-yl)carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 70112500
tert-butyl 4-[3-[(3R)-3-[[(2S)-1-ethoxy-1-oxo-5-phenylpentan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 70112503
(2R)-4-(2-methoxyphenyl)-2-[[[(3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carbonyl]amino]methyl]butanoic acid
CID 70110003
tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate
CID 11529681
tert-butyl 4-[3-[(3R)-3-[[1-(benzenesulfonyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 70109257
tert-butyl 4-[3-[3-[4-(1-ethoxy-1-oxopropan-2-yl)phenyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 139730440
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
tert-butyl 4-[3-[(3R)-3-[[(2R)-2-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]butyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 70111145

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate (CID 123443025) is (2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate is CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@@H](C(=O)On3c(O)ccc3O)C2)CC1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate?
The InChIKey is MVEPDNDZZJKTEU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H35N3O7/c1-23(2,3)32-22(31)24-13-10-16(11-14-24)6-7-18(27)25-12-4-5-17(15-25)21(30)33-26-19(28)8-9-20(26)29/h8-9,16-17,28-29H,4-7,10-15H2,1-3H3/t17-/m1/s1.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate?
(2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) (3R)-1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 123443025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).