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

C26H30ClN3O2 — CID 6622189

IUPAC1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)C2)cc1
InChIInChI=1S/C26H30ClN3O2/c1-18-5-7-20(8-6-18)13-14-28-25(31)22-4-3-15-30(16-22)17-24-19(2)32-26(29-24)21-9-11-23(27)12-10-21/h5-12,22H,3-4,13-17H2,1-2H3,(H,28,31)
InChIKeyHWCZENBNMBTAKS-UHFFFAOYSA-N
MW452.00 g/mol
LogP5.18
Rot. Bonds7

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

1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 6622189) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID6622189
Molecular FormulaC26H30ClN3O2
Molecular Weight452.00 g/mol
Exact Mass451.20
IUPAC Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)C2)cc1
InChIInChI=1S/C26H30ClN3O2/c1-18-5-7-20(8-6-18)13-14-28-25(31)22-4-3-15-30(16-22)17-24-19(2)32-26(29-24)21-9-11-23(27)12-10-21/h5-12,22H,3-4,13-17H2,1-2H3,(H,28,31)
InChIKeyHWCZENBNMBTAKS-UHFFFAOYSA-N
XLogP5.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 3240581
1-[[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]methyl]-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide
CID 3236520
(3R,5S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-5-phenylpiperidine-3-carboxamide
CID 53233019
(3S,5S)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 54584609
2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 1486770
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3235876
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetamide
CID 3236439
2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)-N-(3-morpholin-4-ylpropyl)acetamide
CID 3236658
1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3237063
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3238626
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-{2-[ethyl(phenyl)amino]ethyl}piperidine-4-carboxamide
CID 3239890

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide (CID 6622189) is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1ccc(CCNC(=O)C2CCCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)C2)cc1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is HWCZENBNMBTAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2/c1-18-5-7-20(8-6-18)13-14-28-25(31)22-4-3-15-30(16-22)17-24-19(2)32-26(29-24)21-9-11-23(27)12-10-21/h5-12,22H,3-4,13-17H2,1-2H3,(H,28,31).
What are the key properties of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 452.00 g/mol, XLogP of 5.18, 7 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-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 6622189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).