N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide

C24H30N4O3 — CID 24629855

IUPACN-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C24H30N4O3/c1-18(25-24(31)19-8-4-2-5-9-19)16-22(29)26-21-12-14-28(15-13-21)17-23(30)27-20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3,(H,25,31)(H,26,29)(H,27,30)
InChIKeyMARFAKFFZFSDIS-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.41
Rot. Bonds8

About N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide

N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide (PubChem CID 24629855) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
PubChem CID24629855
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C24H30N4O3/c1-18(25-24(31)19-8-4-2-5-9-19)16-22(29)26-21-12-14-28(15-13-21)17-23(30)27-20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3,(H,25,31)(H,26,29)(H,27,30)
InChIKeyMARFAKFFZFSDIS-UHFFFAOYSA-N
XLogP2.41
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55518864
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 55753716
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
N-[(2S)-1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 42013988
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
CID 18131571
(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
CID 29326396
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
CID 25408367

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide (CID 24629855) is N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is MARFAKFFZFSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-18(25-24(31)19-8-4-2-5-9-19)16-22(29)26-21-12-14-28(15-13-21)17-23(30)27-20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3,(H,25,31)(H,26,29)(H,27,30).
What are the key properties of N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide?
N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24629855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).