N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide

C26H31N3O3 — CID 46020513

IUPACN-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C(=O)NC2CC2)C2CCN(C(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C26H31N3O3/c1-17-7-9-20(10-8-17)24(30)28-23(25(31)27-21-11-12-21)19-13-15-29(16-14-19)26(32)22-6-4-3-5-18(22)2/h3-10,19,21,23H,11-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyHQQYGWRJNJAYAA-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide

N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 46020513) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
PubChem CID46020513
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C(=O)NC2CC2)C2CCN(C(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C26H31N3O3/c1-17-7-9-20(10-8-17)24(30)28-23(25(31)27-21-11-12-21)19-13-15-29(16-14-19)26(32)22-6-4-3-5-18(22)2/h3-10,19,21,23H,11-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyHQQYGWRJNJAYAA-UHFFFAOYSA-N
XLogP3.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199855
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199826
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46151858
N-[(1S)-2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93197038
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 46019312
N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42840312
2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198018
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
4-methoxy-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93197682
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020543
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46019100

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide (CID 46020513) is N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C(=O)NC2CC2)C2CCN(C(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is HQQYGWRJNJAYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-17-7-9-20(10-8-17)24(30)28-23(25(31)27-21-11-12-21)19-13-15-29(16-14-19)26(32)22-6-4-3-5-18(22)2/h3-10,19,21,23H,11-16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide?
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 433.55 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 46020513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).