N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C20H36N2O3 — CID 124732318

IUPACN-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NC[C@@](C)(O)C2CCCCC2)CC1
InChIInChI=1S/C20H36N2O3/c1-19(2,3)18(24)22-12-10-15(11-13-22)17(23)21-14-20(4,25)16-8-6-5-7-9-16/h15-16,25H,5-14H2,1-4H3,(H,21,23)/t20-/m1/s1
InChIKeyJLZTWSIRDZRZAJ-HXUWFJFHSA-N
MW352.52 g/mol
LogP2.72
Rot. Bonds4

About N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 124732318) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID124732318
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC NameN-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NC[C@@](C)(O)C2CCCCC2)CC1
InChIInChI=1S/C20H36N2O3/c1-19(2,3)18(24)22-12-10-15(11-13-22)17(23)21-14-20(4,25)16-8-6-5-7-9-16/h15-16,25H,5-14H2,1-4H3,(H,21,23)/t20-/m1/s1
InChIKeyJLZTWSIRDZRZAJ-HXUWFJFHSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 124732318) is N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)NC[C@@](C)(O)C2CCCCC2)CC1.
What is the InChIKey of N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is JLZTWSIRDZRZAJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-19(2,3)18(24)22-12-10-15(11-13-22)17(23)21-14-20(4,25)16-8-6-5-7-9-16/h15-16,25H,5-14H2,1-4H3,(H,21,23)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 124732318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).