(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide

C18H21N3O3 — CID 97478212

IUPAC(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)no1
InChIInChI=1S/C18H21N3O3/c1-13-10-16(20-24-13)18(23)21-9-5-8-15(12-21)17(22)19-11-14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyIBQUYCUTIVSPFM-OAHLLOKOSA-N
MW327.38 g/mol
LogP2.15
Rot. Bonds4

About (3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide

(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 97478212) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID97478212
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)no1
InChIInChI=1S/C18H21N3O3/c1-13-10-16(20-24-13)18(23)21-9-5-8-15(12-21)17(22)19-11-14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyIBQUYCUTIVSPFM-OAHLLOKOSA-N
XLogP2.15
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511383
N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 42783454
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901
1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 47730082
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45209504
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 52516163
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 1031755

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide (CID 97478212) is (3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide is Cc1cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)no1.
What is the InChIKey of (3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is IBQUYCUTIVSPFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-10-16(20-24-13)18(23)21-9-5-8-15(12-21)17(22)19-11-14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 97478212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).