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

C26H42N4O5 — CID 25141522

IUPAC(3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide
SMILESCCOC[C@H](NC(=O)C1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O)C(C)C
InChIInChI=1S/C26H42N4O5/c1-6-17-12-28-23(11-22(17)35-8-3)30(18-9-10-18)26(33)20-14-27-13-19(24(20)31)25(32)29-21(16(4)5)15-34-7-2/h11-12,16,18-21,24,27,31H,6-10,13-15H2,1-5H3,(H,29,32)/t19?,20-,21-,24+/m0/s1
InChIKeyDUBKNDHQCAWTRQ-WRYHHIFJSA-N
MW490.65 g/mol
LogP1.91
Rot. Bonds12

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

(3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide (PubChem CID 25141522) has the molecular formula C26H42N4O5 and a molecular weight of 490.65 g/mol. Its IUPAC name is (3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide
PubChem CID25141522
Molecular FormulaC26H42N4O5
Molecular Weight490.65 g/mol
Exact Mass490.32
IUPAC Name(3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide
SMILESCCOC[C@H](NC(=O)C1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O)C(C)C
InChIInChI=1S/C26H42N4O5/c1-6-17-12-28-23(11-22(17)35-8-3)30(18-9-10-18)26(33)20-14-27-13-19(24(20)31)25(32)29-21(16(4)5)15-34-7-2/h11-12,16,18-21,24,27,31H,6-10,13-15H2,1-5H3,(H,29,32)/t19?,20-,21-,24+/m0/s1
InChIKeyDUBKNDHQCAWTRQ-WRYHHIFJSA-N
XLogP1.91
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3s,4r,5r)-N-Cyclopropyl-N'-[(2r)-1-Ethoxy-4-Methylpentan-2-Yl]-4-Hydroxy-N-[5-(Propan-2-Yl)pyridin-2-Yl]piperidine-3,5-Dicarboxamide
CID 25143506
(3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
CID 25141518
(3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide
CID 25141519
(3R,5S)-N3-Cyclopropyl-N5-((R)-1-ethoxy-4-methylpentan-2-yl)-N3-(4-ethoxy-5-ethylpyridin-2-yl)piperidine-3,5-dicarboxamide
CID 25141650
(3R,5S)-N3-Cyclopropyl-N5-((R)-1-ethoxy-4-methylpentan-2-yl)-N3-(5-isopropyl-4-methoxypyridin-2-yl)piperidine-3,5-dicarboxamide
CID 25143367
(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)-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;hydrochloride
CID 118709242
(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;hydrochloride
CID 118709243
(3S,4R,5R)-3-N-cyclopropyl-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-3-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride
CID 118709244
(3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide;hydrochloride
CID 118709245
(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
(3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(4-methoxy-5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
CID 25110595

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide?
The IUPAC name of (3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide (CID 25141522) is (3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide.
What is the SMILES notation for (3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide?
The canonical SMILES for (3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide is CCOC[C@H](NC(=O)C1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O)C(C)C.
What is the InChIKey of (3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide?
The InChIKey is DUBKNDHQCAWTRQ-WRYHHIFJSA-N. The full InChI is InChI=1S/C26H42N4O5/c1-6-17-12-28-23(11-22(17)35-8-3)30(18-9-10-18)26(33)20-14-27-13-19(24(20)31)25(32)29-21(16(4)5)15-34-7-2/h11-12,16,18-21,24,27,31H,6-10,13-15H2,1-5H3,(H,29,32)/t19?,20-,21-,24+/m0/s1.
What are the key properties of (3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide?
(3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide has a molecular weight of 490.65 g/mol, XLogP of 1.91, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-N-cyclopropyl-3-N-(4-ethoxy-5-ethyl-2-pyridinyl)-5-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide is sourced from PubChem (CID 25141522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).