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

C26H43ClN4O3 — CID 118709230

IUPAC(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride
SMILESCCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1.Cl
InChIInChI=1S/C26H42N4O3.ClH/c1-6-33-16-22(11-17(2)3)29-25(31)20-12-21(14-27-13-20)26(32)30(23-8-9-23)24-10-7-19(15-28-24)18(4)5;/h7,10,15,17-18,20-23,27H,6,8-9,11-14,16H2,1-5H3,(H,29,31);1H/t20-,21+,22+;/m0./s1
InChIKeyXRZFLAAYSALYSY-DWAQFSJKSA-N
MW495.11 g/mol
LogP3.92
Rot. Bonds11

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

(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride (PubChem CID 118709230) has the molecular formula C26H43ClN4O3 and a molecular weight of 495.11 g/mol. Its IUPAC name is (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride
PubChem CID118709230
Molecular FormulaC26H43ClN4O3
Molecular Weight495.11 g/mol
Exact Mass494.30
IUPAC Name(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride
SMILESCCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1.Cl
InChIInChI=1S/C26H42N4O3.ClH/c1-6-33-16-22(11-17(2)3)29-25(31)20-12-21(14-27-13-20)26(32)30(23-8-9-23)24-10-7-19(15-28-24)18(4)5;/h7,10,15,17-18,20-23,27H,6,8-9,11-14,16H2,1-5H3,(H,29,31);1H/t20-,21+,22+;/m0./s1
InChIKeyXRZFLAAYSALYSY-DWAQFSJKSA-N
XLogP3.92
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.11
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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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-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride?
The IUPAC name of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride (CID 118709230) is (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride.
What is the SMILES notation for (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride?
The canonical SMILES for (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride is CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1.Cl.
What is the InChIKey of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride?
The InChIKey is XRZFLAAYSALYSY-DWAQFSJKSA-N. The full InChI is InChI=1S/C26H42N4O3.ClH/c1-6-33-16-22(11-17(2)3)29-25(31)20-12-21(14-27-13-20)26(32)30(23-8-9-23)24-10-7-19(15-28-24)18(4)5;/h7,10,15,17-18,20-23,27H,6,8-9,11-14,16H2,1-5H3,(H,29,31);1H/t20-,21+,22+;/m0./s1.
What are the key properties of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride?
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride has a molecular weight of 495.11 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 5 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-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride is sourced from PubChem (CID 118709230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).