1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C21H31N3O3 — CID 113003541

IUPAC1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)c1
InChIInChI=1S/C21H31N3O3/c1-17-3-2-4-18(15-17)16-20(25)24-8-5-19(6-9-24)21(26)22-7-10-23-11-13-27-14-12-23/h2-4,15,19H,5-14,16H2,1H3,(H,22,26)
InChIKeyUMBKCWAVCCBJLN-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.22
Rot. Bonds6

About 1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 113003541) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID113003541
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)c1
InChIInChI=1S/C21H31N3O3/c1-17-3-2-4-18(15-17)16-20(25)24-8-5-19(6-9-24)21(26)22-7-10-23-11-13-27-14-12-23/h2-4,15,19H,5-14,16H2,1H3,(H,22,26)
InChIKeyUMBKCWAVCCBJLN-UHFFFAOYSA-N
XLogP1.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003393
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 100780680
N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113004008
N-(3-morpholin-4-ylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 51155935
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035
N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006994
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 113003541) is 1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is Cc1cccc(CC(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is UMBKCWAVCCBJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17-3-2-4-18(15-17)16-20(25)24-8-5-19(6-9-24)21(26)22-7-10-23-11-13-27-14-12-23/h2-4,15,19H,5-14,16H2,1H3,(H,22,26).
What are the key properties of 1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113003541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).