(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one

C19H25N3O4 — CID 134695661

IUPAC(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
SMILESO=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCC(CO)CC1
InChIInChI=1S/C19H25N3O4/c23-11-13-5-8-21(9-6-13)19(25)18-17(14-2-1-7-20-10-14)22(15-3-4-15)16(24)12-26-18/h1-2,7,10,13,15,17-18,23H,3-6,8-9,11-12H2/t17-,18+/m1/s1
InChIKeyCYVDBMARTBCDDD-MSOLQXFVSA-N
MW359.43 g/mol
LogP0.74
Rot. Bonds4

About (5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one

(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one (PubChem CID 134695661) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
PubChem CID134695661
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
SMILESO=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCC(CO)CC1
InChIInChI=1S/C19H25N3O4/c23-11-13-5-8-21(9-6-13)19(25)18-17(14-2-1-7-20-10-14)22(15-3-4-15)16(24)12-26-18/h1-2,7,10,13,15,17-18,23H,3-6,8-9,11-12H2/t17-,18+/m1/s1
InChIKeyCYVDBMARTBCDDD-MSOLQXFVSA-N
XLogP0.74
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one?
The IUPAC name of (5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one (CID 134695661) is (5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one?
The canonical SMILES for (5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one is O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCC(CO)CC1.
What is the InChIKey of (5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one?
The InChIKey is CYVDBMARTBCDDD-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H25N3O4/c23-11-13-5-8-21(9-6-13)19(25)18-17(14-2-1-7-20-10-14)22(15-3-4-15)16(24)12-26-18/h1-2,7,10,13,15,17-18,23H,3-6,8-9,11-12H2/t17-,18+/m1/s1.
What are the key properties of (5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one?
(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one has a molecular weight of 359.43 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one is sourced from PubChem (CID 134695661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).