N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide

C22H24N2O4 — CID 22570010

IUPACN-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCC(C=O)CC2)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O4/c1-28-20-9-7-18(8-10-20)22(27)24(19-5-3-2-4-6-19)15-21(26)23-13-11-17(16-25)12-14-23/h2-10,16-17H,11-15H2,1H3
InChIKeyAYVFAKFONXUDPQ-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide

N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide (PubChem CID 22570010) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide
PubChem CID22570010
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCC(C=O)CC2)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O4/c1-28-20-9-7-18(8-10-20)22(27)24(19-5-3-2-4-6-19)15-21(26)23-13-11-17(16-25)12-14-23/h2-10,16-17H,11-15H2,1H3
InChIKeyAYVFAKFONXUDPQ-UHFFFAOYSA-N
XLogP2.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-[4-(1-methylpyrrolidin-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide
CID 22321844
N-(2-chlorophenyl)-4-methoxy-N-[2-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 69430640
N-(3-fluorophenyl)-4-methoxy-N-[2-[4-(2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 54246030
N-ethyl-4-(4-methylpiperidine-1-carbonyl)-N-phenylbenzamide
CID 109044926
4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 69141376
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 86934297
N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide
CID 11100264
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1148691
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 1138674
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide?
The IUPAC name of N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide (CID 22570010) is N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide.
What is the SMILES notation for N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide?
The canonical SMILES for N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide is COc1ccc(C(=O)N(CC(=O)N2CCC(C=O)CC2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide?
The InChIKey is AYVFAKFONXUDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-28-20-9-7-18(8-10-20)22(27)24(19-5-3-2-4-6-19)15-21(26)23-13-11-17(16-25)12-14-23/h2-10,16-17H,11-15H2,1H3.
What are the key properties of N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide?
N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide has a molecular weight of 380.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide is sourced from PubChem (CID 22570010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).