1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide

C22H26N2O3 — CID 31821899

IUPAC1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16(2)22(26)24-14-12-17(13-15-24)21(25)23-19-10-6-7-11-20(19)27-18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,23,25)
InChIKeySWMOSHWKJBQDIP-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.31
Rot. Bonds5

About 1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 31821899) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID31821899
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16(2)22(26)24-14-12-17(13-15-24)21(25)23-19-10-6-7-11-20(19)27-18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,23,25)
InChIKeySWMOSHWKJBQDIP-UHFFFAOYSA-N
XLogP4.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide
CID 55915074
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
tert-butyl 4-[[2-[4-(1,1-difluoroethyl)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 143387902
1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 78889326
(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 2462402
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732598
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 15952444
N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide (CID 31821899) is 1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is SWMOSHWKJBQDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(2)22(26)24-14-12-17(13-15-24)21(25)23-19-10-6-7-11-20(19)27-18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,23,25).
What are the key properties of 1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 31821899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).