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

C25H29N3O3 — CID 42840457

IUPACN-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)N2CCC(C(NC(=O)c3ccccc3)C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C25H29N3O3/c1-17-6-5-9-20(16-17)25(31)28-14-12-18(13-15-28)22(24(30)26-21-10-11-21)27-23(29)19-7-3-2-4-8-19/h2-9,16,18,21-22H,10-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyYYTIFWUFCILCQG-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.92
Rot. Bonds6

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

N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide (PubChem CID 42840457) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
PubChem CID42840457
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)N2CCC(C(NC(=O)c3ccccc3)C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C25H29N3O3/c1-17-6-5-9-20(16-17)25(31)28-14-12-18(13-15-28)22(24(30)26-21-10-11-21)27-23(29)19-7-3-2-4-8-19/h2-9,16,18,21-22H,10-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyYYTIFWUFCILCQG-UHFFFAOYSA-N
XLogP2.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.92
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-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016050
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
N-[2-(cyclopropylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46019160
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196675
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 46020513
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 46020351
2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide
CID 93198002
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198983
N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42840312
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 93199492
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 46020353

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide (CID 42840457) is N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide is Cc1cccc(C(=O)N2CCC(C(NC(=O)c3ccccc3)C(=O)NC3CC3)CC2)c1.
What is the InChIKey of N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is YYTIFWUFCILCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-6-5-9-20(16-17)25(31)28-14-12-18(13-15-28)22(24(30)26-21-10-11-21)27-23(29)19-7-3-2-4-8-19/h2-9,16,18,21-22H,10-15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 2.92, 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-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 42840457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).