N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide

C29H32N4O3 — CID 55518864

IUPACN-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CN1CCC(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C29H32N4O3/c34-27(20-26(22-10-4-1-5-11-22)32-29(36)23-12-6-2-7-13-23)30-25-16-18-33(19-17-25)21-28(35)31-24-14-8-3-9-15-24/h1-15,25-26H,16-21H2,(H,30,34)(H,31,35)(H,32,36)
InChIKeyYGKDAZHRWIPETK-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.77
Rot. Bonds9

About N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55518864) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID55518864
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CN1CCC(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C29H32N4O3/c34-27(20-26(22-10-4-1-5-11-22)32-29(36)23-12-6-2-7-13-23)30-25-16-18-33(19-17-25)21-28(35)31-24-14-8-3-9-15-24/h1-15,25-26H,16-21H2,(H,30,34)(H,31,35)(H,32,36)
InChIKeyYGKDAZHRWIPETK-UHFFFAOYSA-N
XLogP3.77
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
2-[4-[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]piperidin-1-yl]-N-phenylacetamide
CID 78880245
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-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide
CID 95271231
4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54816800
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55573209
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 55518864) is N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide is O=C(CN1CCC(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is YGKDAZHRWIPETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c34-27(20-26(22-10-4-1-5-11-22)32-29(36)23-12-6-2-7-13-23)30-25-16-18-33(19-17-25)21-28(35)31-24-14-8-3-9-15-24/h1-15,25-26H,16-21H2,(H,30,34)(H,31,35)(H,32,36).
What are the key properties of N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 3.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55518864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).