(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid

C31H50N4O10 — CID 118709247

IUPAC(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid
SMILESCCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C27H44N4O4.C4H6O6/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5;5-1(3(7)8)2(6)4(9)10/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32);1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21+;/m0./s1
InChIKeyPCQFCXPXHUDXCJ-HWAJWLCKSA-N
MW638.76 g/mol
LogP1.38
Rot. Bonds15

About (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid

(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid (PubChem CID 118709247) has the molecular formula C31H50N4O10 and a molecular weight of 638.76 g/mol. Its IUPAC name is (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid
PubChem CID118709247
Molecular FormulaC31H50N4O10
Molecular Weight638.76 g/mol
Exact Mass638.35
IUPAC Name(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid
SMILESCCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C27H44N4O4.C4H6O6/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5;5-1(3(7)8)2(6)4(9)10/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32);1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21+;/m0./s1
InChIKeyPCQFCXPXHUDXCJ-HWAJWLCKSA-N
XLogP1.38
TPSA207.85 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.76
LogP ≤ 51.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid with MolForge

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Launch Full Analysis

Related Compounds

(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-[4-(3-methoxypropoxy)-5-propan-2-yl-2-pyridinyl]piperidine-3,5-dicarboxamide;hydrochloride
CID 118709240
(3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
CID 163884427
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-[7-fluoro-4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]piperidine-3,5-dicarboxamide;hydrochloride
CID 118709238
(3S,5R)-5-N-[4-acetyl-3-(3-methoxypropoxy)phenyl]-5-N-cyclopropyl-3-N-(1-hydroxy-4-methylpentan-2-yl)piperidine-3,5-dicarboxamide
CID 24876421
(3S,5R)-5-N-cyclopropyl-3-N-(1-ethoxypropan-2-yl)-5-N-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]piperidine-3,5-dicarboxamide
CID 163693745
(3S,5R)-5-N-cyclopropyl-3-N-(1-hydroxy-4-methylpentan-2-yl)-5-N-[[5-(3-methoxypropoxy)-2,3-dimethylphenyl]methyl]piperidine-3,5-dicarboxamide
CID 24875716
(3S,5R)-5-N-cyclopropyl-3-N-(1-hydroxy-4-methylpentan-2-yl)-5-N-[[3-(3-methoxypropoxy)-5-propan-2-ylphenyl]methyl]piperidine-3,5-dicarboxamide
CID 24876267
N-(1-ethoxybutan-2-yl)azetidine-3-carboxamide;hydrochloride
CID 142434763
(3S,5R)-5-N-cyclopropyl-3-N-(1-hydroxy-4-methylpentan-2-yl)-5-N-[[3-methoxy-5-(5-methoxypentyl)phenyl]methyl]piperidine-3,5-dicarboxamide
CID 70313440
tert-butyl (3R,5S)-3-[cyclopropyl-[2,2-dimethyl-3-oxo-4-(2-propan-2-yloxyethyl)-1,4-benzoxazin-6-yl]carbamoyl]-5-[(1-ethoxy-4-methylpentan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 163736717
(3S,5R)-5-N-cyclopropyl-3-N-[(3S)-2,5-dimethyl-2-nitrosohexan-3-yl]-5-N-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]piperidine-3,5-dicarboxamide
CID 143500001
tert-butyl (3S,4R,5R)-3-[cyclopropyl-(4-ethoxy-5-ethyl-2-pyridinyl)carbamoyl]-5-[(3S)-3-(ethoxymethyl)-5-methylhexanoyl]-4-hydroxypiperidine-1-carboxylate
CID 159799168

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid?
The IUPAC name of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid (CID 118709247) is (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid?
The canonical SMILES for (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid is CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid?
The InChIKey is PCQFCXPXHUDXCJ-HWAJWLCKSA-N. The full InChI is InChI=1S/C27H44N4O4.C4H6O6/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5;5-1(3(7)8)2(6)4(9)10/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32);1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21+;/m0./s1.
What are the key properties of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid?
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid has a molecular weight of 638.76 g/mol, XLogP of 1.38, 15 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 118709247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).