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

C23H32ClN3O4 — CID 92662431

IUPAC(3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide
SMILESCCOC(CNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)C1)OCC
InChIInChI=1S/C23H32ClN3O4/c1-4-29-21(30-5-2)13-25-22(28)18-7-6-12-27(14-18)15-20-16(3)31-23(26-20)17-8-10-19(24)11-9-17/h8-11,18,21H,4-7,12-15H2,1-3H3,(H,25,28)/t18-/m1/s1
InChIKeyGGVHMLSOCVFPAO-GOSISDBHSA-N
MW449.98 g/mol
LogP4.03
Rot. Bonds10

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

(3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide (PubChem CID 92662431) has the molecular formula C23H32ClN3O4 and a molecular weight of 449.98 g/mol. Its IUPAC name is (3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide
PubChem CID92662431
Molecular FormulaC23H32ClN3O4
Molecular Weight449.98 g/mol
Exact Mass449.21
IUPAC Name(3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide
SMILESCCOC(CNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)C1)OCC
InChIInChI=1S/C23H32ClN3O4/c1-4-29-21(30-5-2)13-25-22(28)18-7-6-12-27(14-18)15-20-16(3)31-23(26-20)17-8-10-19(24)11-9-17/h8-11,18,21H,4-7,12-15H2,1-3H3,(H,25,28)/t18-/m1/s1
InChIKeyGGVHMLSOCVFPAO-GOSISDBHSA-N
XLogP4.03
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124772002
N-[3-[bis(2-methylpropyl)amino]propyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20859948
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
CID 45280538
N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859822
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 122175271
N-(2,2-diethoxyethyl)-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 46255206
N-butyl-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859816
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 20859982
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 122175211
(3S)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 42514309
(3R)-N-[(2-chlorophenyl)methyl]-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 92662505
N-cyclopropyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20860011

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide (CID 92662431) is (3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide is CCOC(CNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)C1)OCC.
What is the InChIKey of (3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide?
The InChIKey is GGVHMLSOCVFPAO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H32ClN3O4/c1-4-29-21(30-5-2)13-25-22(28)18-7-6-12-27(14-18)15-20-16(3)31-23(26-20)17-8-10-19(24)11-9-17/h8-11,18,21H,4-7,12-15H2,1-3H3,(H,25,28)/t18-/m1/s1.
What are the key properties of (3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide?
(3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide has a molecular weight of 449.98 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92662431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).