1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide

C18H26N2O2 — CID 110686139

IUPAC1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccccc2C(C)(C)C)C1
InChIInChI=1S/C18H26N2O2/c1-13(21)20-11-7-8-14(12-20)17(22)19-16-10-6-5-9-15(16)18(2,3)4/h5-6,9-10,14H,7-8,11-12H2,1-4H3,(H,19,22)
InChIKeyCVYHQMAGQFTFRM-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.18
Rot. Bonds2

About 1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide

1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide (PubChem CID 110686139) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
PubChem CID110686139
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccccc2C(C)(C)C)C1
InChIInChI=1S/C18H26N2O2/c1-13(21)20-11-7-8-14(12-20)17(22)19-16-10-6-5-9-15(16)18(2,3)4/h5-6,9-10,14H,7-8,11-12H2,1-4H3,(H,19,22)
InChIKeyCVYHQMAGQFTFRM-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 94818335
1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 120604476
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
CID 110686178
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 24630317

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide (CID 110686139) is 1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2ccccc2C(C)(C)C)C1.
What is the InChIKey of 1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide?
The InChIKey is CVYHQMAGQFTFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(21)20-11-7-8-14(12-20)17(22)19-16-10-6-5-9-15(16)18(2,3)4/h5-6,9-10,14H,7-8,11-12H2,1-4H3,(H,19,22).
What are the key properties of 1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide?
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 110686139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).