(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one

C19H25N3O3 — CID 134704558

IUPAC(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one
SMILESCC1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1
InChIInChI=1S/C19H25N3O3/c1-13-6-9-21(10-7-13)19(24)18-17(14-3-2-8-20-11-14)22(15-4-5-15)16(23)12-25-18/h2-3,8,11,13,15,17-18H,4-7,9-10,12H2,1H3/t17-,18+/m1/s1
InChIKeyCRLJSMHJPOVGLL-MSOLQXFVSA-N
MW343.43 g/mol
LogP1.77
Rot. Bonds3

About (5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one

(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one (PubChem CID 134704558) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one
PubChem CID134704558
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one
SMILESCC1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1
InChIInChI=1S/C19H25N3O3/c1-13-6-9-21(10-7-13)19(24)18-17(14-3-2-8-20-11-14)22(15-4-5-15)16(23)12-25-18/h2-3,8,11,13,15,17-18H,4-7,9-10,12H2,1H3/t17-,18+/m1/s1
InChIKeyCRLJSMHJPOVGLL-MSOLQXFVSA-N
XLogP1.77
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one?
The IUPAC name of (5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one (CID 134704558) is (5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one?
The canonical SMILES for (5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one is CC1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1.
What is the InChIKey of (5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one?
The InChIKey is CRLJSMHJPOVGLL-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-6-9-21(10-7-13)19(24)18-17(14-3-2-8-20-11-14)22(15-4-5-15)16(23)12-25-18/h2-3,8,11,13,15,17-18H,4-7,9-10,12H2,1H3/t17-,18+/m1/s1.
What are the key properties of (5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one?
(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one has a molecular weight of 343.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one is sourced from PubChem (CID 134704558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).