N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide

C18H34N2O2 — CID 170031556

IUPACN-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide
SMILESCC(C)CC(C)(C)C(=O)N1CCC(CC(=O)NC(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-13(2)12-18(5,6)17(22)20-9-7-15(8-10-20)11-16(21)19-14(3)4/h13-15H,7-12H2,1-6H3,(H,19,21)
InChIKeyIVCBIFOUZZAQPS-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.21
Rot. Bonds6

About N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide

N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide (PubChem CID 170031556) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide
PubChem CID170031556
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide
SMILESCC(C)CC(C)(C)C(=O)N1CCC(CC(=O)NC(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-13(2)12-18(5,6)17(22)20-9-7-15(8-10-20)11-16(21)19-14(3)4/h13-15H,7-12H2,1-6H3,(H,19,21)
InChIKeyIVCBIFOUZZAQPS-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119544267
2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119544266
1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one
CID 111970406
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 129257459
2,2,4-trimethyl-1-[3-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119489879
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737
2-[acetyl-[1-(2,2,4-trimethylpentanoyl)azepan-4-yl]amino]acetic acid
CID 120606285
N-propan-2-yl-2-(thian-4-yl)acetamide
CID 80708318
1-(1,4-diazepan-1-yl)-2,2,4-trimethylpentan-1-one;hydrochloride
CID 119415827
3-[1-(2,2,4-trimethylpentanoyl)piperidin-3-yl]propanoic acid
CID 120689656
2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
CID 113307689

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide (CID 170031556) is N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide is CC(C)CC(C)(C)C(=O)N1CCC(CC(=O)NC(C)C)CC1.
What is the InChIKey of N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide?
The InChIKey is IVCBIFOUZZAQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13(2)12-18(5,6)17(22)20-9-7-15(8-10-20)11-16(21)19-14(3)4/h13-15H,7-12H2,1-6H3,(H,19,21).
What are the key properties of N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide?
N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide has a molecular weight of 310.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 170031556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).