(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

C26H29N3O4 — CID 95855453

IUPAC(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C26H29N3O4/c1-3-27-25(31)26(17-22-16-23(28-33-22)19-9-5-4-6-10-19)13-8-14-29(18-26)24(30)20-11-7-12-21(15-20)32-2/h4-7,9-12,15-16H,3,8,13-14,17-18H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyDVUTUAFZQHGYKP-AREMUKBSSA-N
MW447.54 g/mol
LogP3.95
Rot. Bonds7

About (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 95855453) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID95855453
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C26H29N3O4/c1-3-27-25(31)26(17-22-16-23(28-33-22)19-9-5-4-6-10-19)13-8-14-29(18-26)24(30)20-11-7-12-21(15-20)32-2/h4-7,9-12,15-16H,3,8,13-14,17-18H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyDVUTUAFZQHGYKP-AREMUKBSSA-N
XLogP3.95
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855480
(3R)-N-ethyl-1-(3-methylbutanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855475
(3S)-N-ethyl-1-ethylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 51595538
(3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855471
(3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855491
1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974085
(2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 129360774
N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974043
(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855546
(3R)-1-(2-methoxybenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855499
(3S)-1-(2-methoxybenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855498
(3R)-1-cyclopentyl-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855427

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 95855453) is (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(OC)c2)C1.
What is the InChIKey of (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is DVUTUAFZQHGYKP-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-3-27-25(31)26(17-22-16-23(28-33-22)19-9-5-4-6-10-19)13-8-14-29(18-26)24(30)20-11-7-12-21(15-20)32-2/h4-7,9-12,15-16H,3,8,13-14,17-18H2,1-2H3,(H,27,31)/t26-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95855453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).