2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone

C13H26N2O — CID 103746610

IUPAC2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
SMILESCCC(C)(CC)NCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-13(3,5-2)14-11-12(16)15-9-7-6-8-10-15/h14H,4-11H2,1-3H3
InChIKeyLHWDMZYQEMKMGI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds5

About 2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone

2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone (PubChem CID 103746610) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
PubChem CID103746610
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
SMILESCCC(C)(CC)NCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-13(3,5-2)14-11-12(16)15-9-7-6-8-10-15/h14H,4-11H2,1-3H3
InChIKeyLHWDMZYQEMKMGI-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide
CID 71918170
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone
CID 103746720
1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone
CID 113229337
1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 54948974
1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 106178157
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974
1-(azepan-1-yl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethanone
CID 106256502
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone
CID 95621718
1-(azepan-1-yl)propan-1-one
CID 3613534

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone (CID 103746610) is 2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone is CCC(C)(CC)NCC(=O)N1CCCCC1.
What is the InChIKey of 2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone?
The InChIKey is LHWDMZYQEMKMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(3,5-2)14-11-12(16)15-9-7-6-8-10-15/h14H,4-11H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone?
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone has a molecular weight of 226.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 103746610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).