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

C26H42N4O4 — CID 25143506

IUPAC(3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
SMILESCCOC[C@@H](CC(C)C)NC(=O)C1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O
InChIInChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21?,22+,24-/m1/s1
InChIKeyYOVGCKBDPOHLAV-SCPNEYIQSA-N
MW474.65 g/mol
LogP2.46
Rot. Bonds11

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

(3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide (PubChem CID 25143506) has the molecular formula C26H42N4O4 and a molecular weight of 474.65 g/mol. Its IUPAC name is (3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
PubChem CID25143506
Molecular FormulaC26H42N4O4
Molecular Weight474.65 g/mol
Exact Mass474.32
IUPAC Name(3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
SMILESCCOC[C@@H](CC(C)C)NC(=O)C1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O
InChIInChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21?,22+,24-/m1/s1
InChIKeyYOVGCKBDPOHLAV-SCPNEYIQSA-N
XLogP2.46
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
The IUPAC name of (3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide (CID 25143506) is (3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide.
What is the SMILES notation for (3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
The canonical SMILES for (3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide is CCOC[C@@H](CC(C)C)NC(=O)C1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
The InChIKey is YOVGCKBDPOHLAV-SCPNEYIQSA-N. The full InChI is InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21?,22+,24-/m1/s1.
What are the key properties of (3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
(3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide has a molecular weight of 474.65 g/mol, XLogP of 2.46, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide is sourced from PubChem (CID 25143506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).