1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone

C15H30N2O — CID 54948974

IUPAC1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
SMILESCC(C)(C)CC(C)(C)NCC(=O)N1CCCCC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)12-15(4,5)16-11-13(18)17-9-7-6-8-10-17/h16H,6-12H2,1-5H3
InChIKeyGBIHPSSFORKHBM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.80
Rot. Bonds4

About 1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone

1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone (PubChem CID 54948974) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
PubChem CID54948974
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
SMILESCC(C)(C)CC(C)(C)NCC(=O)N1CCCCC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)12-15(4,5)16-11-13(18)17-9-7-6-8-10-17/h16H,6-12H2,1-5H3
InChIKeyGBIHPSSFORKHBM-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone
CID 113229337
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide
CID 71918170
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974
1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone
CID 83143576
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 114167213
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 115888267
(3R)-1-[2-[(1-cycloheptyl-2-methylpropan-2-yl)amino]acetyl]piperidine-3-carboxamide
CID 99778459

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone (CID 54948974) is 1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone is CC(C)(C)CC(C)(C)NCC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone?
The InChIKey is GBIHPSSFORKHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)12-15(4,5)16-11-13(18)17-9-7-6-8-10-17/h16H,6-12H2,1-5H3.
What are the key properties of 1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone?
1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone has a molecular weight of 254.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone is sourced from PubChem (CID 54948974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).