2-(2-tert-butylanilino)-1-piperidin-1-ylethanone

C17H26N2O — CID 60685891

IUPAC2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
SMILESCC(C)(C)c1ccccc1NCC(=O)N1CCCCC1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-9-5-6-10-15(14)18-13-16(20)19-11-7-4-8-12-19/h5-6,9-10,18H,4,7-8,11-13H2,1-3H3
InChIKeyTWVGIMOVMRYHSM-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.41
Rot. Bonds3

About 2-(2-tert-butylanilino)-1-piperidin-1-ylethanone

2-(2-tert-butylanilino)-1-piperidin-1-ylethanone (PubChem CID 60685891) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2-tert-butylanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
PubChem CID60685891
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
SMILESCC(C)(C)c1ccccc1NCC(=O)N1CCCCC1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-9-5-6-10-15(14)18-13-16(20)19-11-7-4-8-12-19/h5-6,9-10,18H,4,7-8,11-13H2,1-3H3
InChIKeyTWVGIMOVMRYHSM-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-[2-(dimethylamino)anilino]ethanone
CID 106759777
2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
CID 28568569
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
1-(azepan-1-yl)-2-(3-bromo-2-methylanilino)ethanone
CID 103721440
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
1-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 28573004
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456
3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104644544
2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone
CID 154778909

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-tert-butylanilino)-1-piperidin-1-ylethanone (CID 60685891) is 2-(2-tert-butylanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-tert-butylanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-tert-butylanilino)-1-piperidin-1-ylethanone is CC(C)(C)c1ccccc1NCC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-tert-butylanilino)-1-piperidin-1-ylethanone?
The InChIKey is TWVGIMOVMRYHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)14-9-5-6-10-15(14)18-13-16(20)19-11-7-4-8-12-19/h5-6,9-10,18H,4,7-8,11-13H2,1-3H3.
What are the key properties of 2-(2-tert-butylanilino)-1-piperidin-1-ylethanone?
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone has a molecular weight of 274.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 60685891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).