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

C25H34ClN3O2 — CID 92662420

IUPAC1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1
InChIInChI=1S/C25H34ClN3O2/c1-16-5-4-6-22(17(16)2)27-24(30)19-11-13-29(14-12-19)15-23-18(3)31-25(28-23)20-7-9-21(26)10-8-20/h7-10,16-17,19,22H,4-6,11-15H2,1-3H3,(H,27,30)/t16-,17+,22+/m0/s1
InChIKeyZBMQUQGREQNQLC-GSHUGGBRSA-N
MW444.02 g/mol
LogP5.46
Rot. Bonds5

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

1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide (PubChem CID 92662420) has the molecular formula C25H34ClN3O2 and a molecular weight of 444.02 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide
PubChem CID92662420
Molecular FormulaC25H34ClN3O2
Molecular Weight444.02 g/mol
Exact Mass443.23
IUPAC Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1
InChIInChI=1S/C25H34ClN3O2/c1-16-5-4-6-22(17(16)2)27-24(30)19-11-13-29(14-12-19)15-23-18(3)31-25(28-23)20-7-9-21(26)10-8-20/h7-10,16-17,19,22H,4-6,11-15H2,1-3H3,(H,27,30)/t16-,17+,22+/m0/s1
InChIKeyZBMQUQGREQNQLC-GSHUGGBRSA-N
XLogP5.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.02
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[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-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 122175211
N-butyl-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859816
1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 20859872
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92662416
N-[3-[butyl(methyl)amino]propyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859826
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(dibutylamino)ethyl]piperidine-4-carboxamide
CID 20859829
4-(azepan-1-yl)-1-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]butan-1-one
CID 58540560
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92505840
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 6619545

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide (CID 92662420) is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide is Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide?
The InChIKey is ZBMQUQGREQNQLC-GSHUGGBRSA-N. The full InChI is InChI=1S/C25H34ClN3O2/c1-16-5-4-6-22(17(16)2)27-24(30)19-11-13-29(14-12-19)15-23-18(3)31-25(28-23)20-7-9-21(26)10-8-20/h7-10,16-17,19,22H,4-6,11-15H2,1-3H3,(H,27,30)/t16-,17+,22+/m0/s1.
What are the key properties of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide?
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide has a molecular weight of 444.02 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 92662420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).