(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide

C19H26N4O3 — CID 134706530

IUPAC(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESO=C(NCC1CCNCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H26N4O3/c24-16-12-26-18(19(25)22-10-13-5-8-20-9-6-13)17(23(16)15-3-4-15)14-2-1-7-21-11-14/h1-2,7,11,13,15,17-18,20H,3-6,8-10,12H2,(H,22,25)/t17-,18+/m1/s1
InChIKeyQQOQJQLPQKJVAC-MSOLQXFVSA-N
MW358.44 g/mol
LogP0.63
Rot. Bonds5

About (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide

(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide (PubChem CID 134706530) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
PubChem CID134706530
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESO=C(NCC1CCNCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H26N4O3/c24-16-12-26-18(19(25)22-10-13-5-8-20-9-6-13)17(23(16)15-3-4-15)14-2-1-7-21-11-14/h1-2,7,11,13,15,17-18,20H,3-6,8-10,12H2,(H,22,25)/t17-,18+/m1/s1
InChIKeyQQOQJQLPQKJVAC-MSOLQXFVSA-N
XLogP0.63
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide (CID 134706530) is (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide is O=C(NCC1CCNCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide?
The InChIKey is QQOQJQLPQKJVAC-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-16-12-26-18(19(25)22-10-13-5-8-20-9-6-13)17(23(16)15-3-4-15)14-2-1-7-21-11-14/h1-2,7,11,13,15,17-18,20H,3-6,8-10,12H2,(H,22,25)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide?
(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide is sourced from PubChem (CID 134706530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).