N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide

C23H27N3O4 — CID 55653463

IUPACN-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H27N3O4/c1-16-7-3-4-8-18(16)23(29)24-15-21(27)26-13-11-17(12-14-26)22(28)25-19-9-5-6-10-20(19)30-2/h3-10,17H,11-15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyVHSKTHINZXQLOW-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.61
Rot. Bonds6

About N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide

N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide (PubChem CID 55653463) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide
PubChem CID55653463
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H27N3O4/c1-16-7-3-4-8-18(16)23(29)24-15-21(27)26-13-11-17(12-14-26)22(28)25-19-9-5-6-10-20(19)30-2/h3-10,17H,11-15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyVHSKTHINZXQLOW-UHFFFAOYSA-N
XLogP2.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 38644491
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-[5-(dipropylamino)-5-oxopentanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 56546135
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653577
1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007639
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide (CID 55653463) is N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide?
The InChIKey is VHSKTHINZXQLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16-7-3-4-8-18(16)23(29)24-15-21(27)26-13-11-17(12-14-26)22(28)25-19-9-5-6-10-20(19)30-2/h3-10,17H,11-15H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55653463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).