N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide

C21H32N2O2 — CID 113008342

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1
InChIInChI=1S/C21H32N2O2/c1-6-19(24)23-12-10-16(11-13-23)21(25)22-20-17(14(2)3)8-7-9-18(20)15(4)5/h7-9,14-16H,6,10-13H2,1-5H3,(H,22,25)
InChIKeyMIYULMVDIZADNV-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.52
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide (PubChem CID 113008342) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
PubChem CID113008342
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1
InChIInChI=1S/C21H32N2O2/c1-6-19(24)23-12-10-16(11-13-23)21(25)22-20-17(14(2)3)8-7-9-18(20)15(4)5/h7-9,14-16H,6,10-13H2,1-5H3,(H,22,25)
InChIKeyMIYULMVDIZADNV-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
1-[2,6-di(propan-2-yl)phenyl]-3-(1-propanoylpiperidin-4-yl)sulfonylurea
CID 157470455
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006911
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113006871
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113006910
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113007816
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432
4-N,4-N-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149435

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide (CID 113008342) is N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide?
The InChIKey is MIYULMVDIZADNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-6-19(24)23-12-10-16(11-13-23)21(25)22-20-17(14(2)3)8-7-9-18(20)15(4)5/h7-9,14-16H,6,10-13H2,1-5H3,(H,22,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 113008342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).