4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide

C21H23N3O3 — CID 90833775

IUPAC4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC(C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O3/c22-19(25)16-9-11-17(12-10-16)20(26)23-18(15-7-3-1-4-8-15)21(27)24-13-5-2-6-14-24/h1,3-4,7-12,18H,2,5-6,13-14H2,(H2,22,25)(H,23,26)
InChIKeyIHSPBTXRBMEJIX-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.27
Rot. Bonds5

About 4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide

4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 90833775) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
PubChem CID90833775
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC(C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O3/c22-19(25)16-9-11-17(12-10-16)20(26)23-18(15-7-3-1-4-8-15)21(27)24-13-5-2-6-14-24/h1,3-4,7-12,18H,2,5-6,13-14H2,(H2,22,25)(H,23,26)
InChIKeyIHSPBTXRBMEJIX-UHFFFAOYSA-N
XLogP2.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286837
3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide
CID 94819637
2-bromo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286741
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid
CID 122119953
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide
CID 97221761
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128
2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide
CID 34296118

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide (CID 90833775) is 4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NC(C(=O)N2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is IHSPBTXRBMEJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c22-19(25)16-9-11-17(12-10-16)20(26)23-18(15-7-3-1-4-8-15)21(27)24-13-5-2-6-14-24/h1,3-4,7-12,18H,2,5-6,13-14H2,(H2,22,25)(H,23,26).
What are the key properties of 4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 90833775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).