(3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

C24H27N5O3 — CID 95855549

IUPAC(3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1cnc(C(=O)N2CCC[C@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)cn1
InChIInChI=1S/C24H27N5O3/c1-17-14-26-21(15-25-17)22(30)29-11-7-10-24(16-29,23(31)28(2)3)13-19-12-20(27-32-19)18-8-5-4-6-9-18/h4-6,8-9,12,14-15H,7,10-11,13,16H2,1-3H3/t24-/m1/s1
InChIKeyGIPLNBGEQBXDPM-XMMPIXPASA-N
MW433.51 g/mol
LogP2.99
Rot. Bonds5

About (3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

(3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 95855549) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID95855549
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name(3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1cnc(C(=O)N2CCC[C@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)cn1
InChIInChI=1S/C24H27N5O3/c1-17-14-26-21(15-25-17)22(30)29-11-7-10-24(16-29,23(31)28(2)3)13-19-12-20(27-32-19)18-8-5-4-6-9-18/h4-6,8-9,12,14-15H,7,10-11,13,16H2,1-3H3/t24-/m1/s1
InChIKeyGIPLNBGEQBXDPM-XMMPIXPASA-N
XLogP2.99
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3R)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 95855552
N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 110236576
(3S)-1-(2-methoxybenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855498
(3R)-1-(2-methoxybenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855499
(3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855491
(3R)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 51585867
(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 51585866
N,N-dimethyl-1-(3-methylbutanoyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974062
(3R)-1-(2-cyclopentylacetyl)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855544
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
ethyl 3-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxylate
CID 110234241
(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605059

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 95855549) is (3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is Cc1cnc(C(=O)N2CCC[C@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)cn1.
What is the InChIKey of (3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is GIPLNBGEQBXDPM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17-14-26-21(15-25-17)22(30)29-11-7-10-24(16-29,23(31)28(2)3)13-19-12-20(27-32-19)18-8-5-4-6-9-18/h4-6,8-9,12,14-15H,7,10-11,13,16H2,1-3H3/t24-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
(3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95855549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).