(3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide

C19H31N3O3 — CID 125176171

IUPAC(3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1cc(CN(C)C(=O)[C@@H]2CCCN(C3CCOCC3)C2)no1
InChIInChI=1S/C19H31N3O3/c1-14(2)18-11-16(20-25-18)13-21(3)19(23)15-5-4-8-22(12-15)17-6-9-24-10-7-17/h11,14-15,17H,4-10,12-13H2,1-3H3/t15-/m1/s1
InChIKeyNEPSFDUGLGUELY-OAHLLOKOSA-N
MW349.47 g/mol
LogP2.65
Rot. Bonds5

About (3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide

(3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 125176171) has the molecular formula C19H31N3O3 and a molecular weight of 349.47 g/mol. Its IUPAC name is (3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID125176171
Molecular FormulaC19H31N3O3
Molecular Weight349.47 g/mol
Exact Mass349.24
IUPAC Name(3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1cc(CN(C)C(=O)[C@@H]2CCCN(C3CCOCC3)C2)no1
InChIInChI=1S/C19H31N3O3/c1-14(2)18-11-16(20-25-18)13-21(3)19(23)15-5-4-8-22(12-15)17-6-9-24-10-7-17/h11,14-15,17H,4-10,12-13H2,1-3H3/t15-/m1/s1
InChIKeyNEPSFDUGLGUELY-OAHLLOKOSA-N
XLogP2.65
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide (CID 125176171) is (3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide is CC(C)c1cc(CN(C)C(=O)[C@@H]2CCCN(C3CCOCC3)C2)no1.
What is the InChIKey of (3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NEPSFDUGLGUELY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14(2)18-11-16(20-25-18)13-21(3)19(23)15-5-4-8-22(12-15)17-6-9-24-10-7-17/h11,14-15,17H,4-10,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
(3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 349.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 125176171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).