N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide

C25H33N3O2 — CID 25468739

IUPACN-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C25H33N3O2/c1-18(2)22-11-7-8-19(3)24(22)27-23(29)17-28-14-12-21(13-15-28)25(30)26-16-20-9-5-4-6-10-20/h4-11,18,21H,12-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyMJCKIXDOQZLVGX-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.09
Rot. Bonds7

About N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide

N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 25468739) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID25468739
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C25H33N3O2/c1-18(2)22-11-7-8-19(3)24(22)27-23(29)17-28-14-12-21(13-15-28)25(30)26-16-20-9-5-4-6-10-20/h4-11,18,21H,12-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyMJCKIXDOQZLVGX-UHFFFAOYSA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816727
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006911
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
CID 91838347
N-benzyl-1-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653556
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 119919377
2-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 91829375

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 25468739) is N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1cccc(C(C)C)c1NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is MJCKIXDOQZLVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18(2)22-11-7-8-19(3)24(22)27-23(29)17-28-14-12-21(13-15-28)25(30)26-16-20-9-5-4-6-10-20/h4-11,18,21H,12-17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 25468739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).