(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;hydrochloride

C26H43ClN4O4 — CID 118709246

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;hydrochloride
SMILESCCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O.Cl
InChIInChI=1S/C26H42N4O4.ClH/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);1H/t19-,21-,22+,24-;/m1./s1
InChIKeyWQLNHJRRCBZDSG-SRSVMTQJSA-N
MW511.11 g/mol
LogP2.89
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;hydrochloride

(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;hydrochloride (PubChem CID 118709246) has the molecular formula C26H43ClN4O4 and a molecular weight of 511.11 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;hydrochloride.

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;hydrochloride
PubChem CID118709246
Molecular FormulaC26H43ClN4O4
Molecular Weight511.11 g/mol
Exact Mass510.30
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;hydrochloride
SMILESCCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O.Cl
InChIInChI=1S/C26H42N4O4.ClH/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);1H/t19-,21-,22+,24-;/m1./s1
InChIKeyWQLNHJRRCBZDSG-SRSVMTQJSA-N
XLogP2.89
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.11
LogP ≤ 52.89
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;hydrochloride 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;hydrochloride?
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;hydrochloride (CID 118709246) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O.Cl.
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;hydrochloride?
The InChIKey is WQLNHJRRCBZDSG-SRSVMTQJSA-N. The full InChI is InChI=1S/C26H42N4O4.ClH/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);1H/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;hydrochloride?
(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;hydrochloride has a molecular weight of 511.11 g/mol, XLogP of 2.89, 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;hydrochloride is sourced from PubChem (CID 118709246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).