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

C27H44N4O4 — CID 25141650

IUPAC(3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide
SMILESCCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)C1
InChIInChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/m0/s1
InChIKeyALDJQYJOXDCKFF-BHDDXSALSA-N
MW488.67 g/mol
LogP3.33
Rot. Bonds13

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

(3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide (PubChem CID 25141650) has the molecular formula C27H44N4O4 and a molecular weight of 488.67 g/mol. Its IUPAC name is (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide
PubChem CID25141650
Molecular FormulaC27H44N4O4
Molecular Weight488.67 g/mol
Exact Mass488.34
IUPAC Name(3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide
SMILESCCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)C1
InChIInChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/m0/s1
InChIKeyALDJQYJOXDCKFF-BHDDXSALSA-N
XLogP3.33
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.67
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide?
The IUPAC name of (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide (CID 25141650) is (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide.
What is the SMILES notation for (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide?
The canonical SMILES for (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide is CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)C1.
What is the InChIKey of (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide?
The InChIKey is ALDJQYJOXDCKFF-BHDDXSALSA-N. The full InChI is InChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/m0/s1.
What are the key properties of (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide?
(3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide has a molecular weight of 488.67 g/mol, XLogP of 3.33, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-N-cyclopropyl-5-N-(4-ethoxy-5-ethyl-2-pyridinyl)-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]piperidine-3,5-dicarboxamide is sourced from PubChem (CID 25141650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).