(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

C27H45ClN4O5 — CID 118709245

IUPAC(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
SMILESCCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O.Cl
InChIInChI=1S/C27H44N4O5.ClH/c1-6-18-13-29-24(12-23(18)36-8-3)31(20-9-10-20)27(34)22-15-28-14-21(25(22)32)26(33)30-19(11-17(4)5)16-35-7-2;/h12-13,17,19-22,25,28,32H,6-11,14-16H2,1-5H3,(H,30,33);1H/t19-,21-,22+,25-;/m1./s1
InChIKeyQEJZENBAWOONFA-DUQSSFPHSA-N
MW541.13 g/mol
LogP2.72
Rot. Bonds13

About (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

(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 (PubChem CID 118709245) has the molecular formula C27H45ClN4O5 and a molecular weight of 541.13 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-4-methylpentan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name(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
PubChem CID118709245
Molecular FormulaC27H45ClN4O5
Molecular Weight541.13 g/mol
Exact Mass540.31
IUPAC Name(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
SMILESCCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O.Cl
InChIInChI=1S/C27H44N4O5.ClH/c1-6-18-13-29-24(12-23(18)36-8-3)31(20-9-10-20)27(34)22-15-28-14-21(25(22)32)26(33)30-19(11-17(4)5)16-35-7-2;/h12-13,17,19-22,25,28,32H,6-11,14-16H2,1-5H3,(H,30,33);1H/t19-,21-,22+,25-;/m1./s1
InChIKeyQEJZENBAWOONFA-DUQSSFPHSA-N
XLogP2.72
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.13
LogP ≤ 52.72
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-4-methylpentan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide;hydrochloride 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-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
(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

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-4-methylpentan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide;hydrochloride?
The IUPAC name of (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) is (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.
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-4-methylpentan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide;hydrochloride?
The canonical SMILES for (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 is CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O.Cl.
What is the InChIKey of (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?
The InChIKey is QEJZENBAWOONFA-DUQSSFPHSA-N. The full InChI is InChI=1S/C27H44N4O5.ClH/c1-6-18-13-29-24(12-23(18)36-8-3)31(20-9-10-20)27(34)22-15-28-14-21(25(22)32)26(33)30-19(11-17(4)5)16-35-7-2;/h12-13,17,19-22,25,28,32H,6-11,14-16H2,1-5H3,(H,30,33);1H/t19-,21-,22+,25-;/m1./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-4-methylpentan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide;hydrochloride?
(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 has a molecular weight of 541.13 g/mol, XLogP of 2.72, 13 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-4-methylpentan-2-yl]-4-hydroxypiperidine-3,5-dicarboxamide;hydrochloride is sourced from PubChem (CID 118709245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).