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

C25H40N4O3 — CID 25143504

IUPAC(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
SMILESCCOC[C@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C(C)C
InChIInChI=1S/C25H40N4O3/c1-6-32-15-22(17(4)5)28-24(30)19-11-20(13-26-12-19)25(31)29(21-8-9-21)23-10-7-18(14-27-23)16(2)3/h7,10,14,16-17,19-22,26H,6,8-9,11-13,15H2,1-5H3,(H,28,30)/t19-,20+,22-/m0/s1
InChIKeyFCXMKGICWADYMY-VWPQPMDRSA-N
MW444.62 g/mol
LogP3.10
Rot. Bonds10

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

(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide (PubChem CID 25143504) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
PubChem CID25143504
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC Name(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
SMILESCCOC[C@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C(C)C
InChIInChI=1S/C25H40N4O3/c1-6-32-15-22(17(4)5)28-24(30)19-11-20(13-26-12-19)25(31)29(21-8-9-21)23-10-7-18(14-27-23)16(2)3/h7,10,14,16-17,19-22,26H,6,8-9,11-13,15H2,1-5H3,(H,28,30)/t19-,20+,22-/m0/s1
InChIKeyFCXMKGICWADYMY-VWPQPMDRSA-N
XLogP3.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide 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-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
The IUPAC name of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide (CID 25143504) is (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide.
What is the SMILES notation for (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
The canonical SMILES for (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide is CCOC[C@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C(C)C.
What is the InChIKey of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
The InChIKey is FCXMKGICWADYMY-VWPQPMDRSA-N. The full InChI is InChI=1S/C25H40N4O3/c1-6-32-15-22(17(4)5)28-24(30)19-11-20(13-26-12-19)25(31)29(21-8-9-21)23-10-7-18(14-27-23)16(2)3/h7,10,14,16-17,19-22,26H,6,8-9,11-13,15H2,1-5H3,(H,28,30)/t19-,20+,22-/m0/s1.
What are the key properties of (3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide has a molecular weight of 444.62 g/mol, XLogP of 3.10, 10 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-3-methylbutan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide is sourced from PubChem (CID 25143504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).