N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide

C21H33N3O2 — CID 91838347

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C21H33N3O2/c1-16(2)19-6-4-5-17(3)21(19)22-20(25)15-23-9-7-18(8-10-23)24-11-13-26-14-12-24/h4-6,16,18H,7-15H2,1-3H3,(H,22,25)
InChIKeyUXNDTFFZGOFLOY-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.85
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide (PubChem CID 91838347) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
PubChem CID91838347
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C21H33N3O2/c1-16(2)19-6-4-5-17(3)21(19)22-20(25)15-23-9-7-18(8-10-23)24-11-13-26-14-12-24/h4-6,16,18H,7-15H2,1-3H3,(H,22,25)
InChIKeyUXNDTFFZGOFLOY-UHFFFAOYSA-N
XLogP2.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-3-morpholin-4-ylpropanamide
CID 47093071
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 119919377
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
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
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105948
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8930637
N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 25468739
2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119906370
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 34425742
N-(3-fluorophenyl)-2-[4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433537

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide (CID 91838347) is N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CN1CCC(N2CCOCC2)CC1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide?
The InChIKey is UXNDTFFZGOFLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16(2)19-6-4-5-17(3)21(19)22-20(25)15-23-9-7-18(8-10-23)24-11-13-26-14-12-24/h4-6,16,18H,7-15H2,1-3H3,(H,22,25).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide has a molecular weight of 359.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 91838347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).