1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide

C20H30N2O3 — CID 111471638

IUPAC1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NCCC(O)c2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)19(25)22-13-10-16(11-14-22)18(24)21-12-9-17(23)15-7-5-4-6-8-15/h4-8,16-17,23H,9-14H2,1-3H3,(H,21,24)
InChIKeyLGPUPVLUKMCLSD-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.51
Rot. Bonds5

About 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 111471638) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide
PubChem CID111471638
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NCCC(O)c2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)19(25)22-13-10-16(11-14-22)18(24)21-12-9-17(23)15-7-5-4-6-8-15/h4-8,16-17,23H,9-14H2,1-3H3,(H,21,24)
InChIKeyLGPUPVLUKMCLSD-UHFFFAOYSA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide
CID 111471679
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 110913208
N-(3-hydroxy-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90499575
1-(2,2-dimethylpropanoyl)-N-[2-(2-nitroanilino)ethyl]piperidine-4-carboxamide
CID 9278907
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45195553
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate
CID 46680385
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 86978864
1-(2,2-dimethylpropanoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 37361348

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide (CID 111471638) is 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)NCCC(O)c2ccccc2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is LGPUPVLUKMCLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,3)19(25)22-13-10-16(11-14-22)18(24)21-12-9-17(23)15-7-5-4-6-8-15/h4-8,16-17,23H,9-14H2,1-3H3,(H,21,24).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 111471638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).