N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide

C26H31N3O4 — CID 46016050

IUPACN-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)N2CCC(C(NC(=O)c3ccccc3)C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C26H31N3O4/c1-19-6-5-9-22(18-19)25(31)28-12-10-20(11-13-28)23(26(32)29-14-16-33-17-15-29)27-24(30)21-7-3-2-4-8-21/h2-9,18,20,23H,10-17H2,1H3,(H,27,30)
InChIKeyWIHNNARDTAIXAJ-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.50
Rot. Bonds5

About N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide

N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide (PubChem CID 46016050) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
PubChem CID46016050
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)N2CCC(C(NC(=O)c3ccccc3)C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C26H31N3O4/c1-19-6-5-9-22(18-19)25(31)28-12-10-20(11-13-28)23(26(32)29-14-16-33-17-15-29)27-24(30)21-7-3-2-4-8-21/h2-9,18,20,23H,10-17H2,1H3,(H,27,30)
InChIKeyWIHNNARDTAIXAJ-UHFFFAOYSA-N
XLogP2.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
CID 93199115
3-methyl-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 93199113
3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 46151903
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016035
N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide
CID 46015981
3-methyl-N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46020877
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016045
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
CID 93200713
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 93199073
3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198790

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?
The IUPAC name of N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide (CID 46016050) is N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide.
What is the SMILES notation for N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?
The canonical SMILES for N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide is Cc1cccc(C(=O)N2CCC(C(NC(=O)c3ccccc3)C(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?
The InChIKey is WIHNNARDTAIXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-19-6-5-9-22(18-19)25(31)28-12-10-20(11-13-28)23(26(32)29-14-16-33-17-15-29)27-24(30)21-7-3-2-4-8-21/h2-9,18,20,23H,10-17H2,1H3,(H,27,30).
What are the key properties of N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide?
N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide has a molecular weight of 449.55 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide is sourced from PubChem (CID 46016050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).