1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone

C16H32N2O — CID 43745923

IUPAC1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-12(2)10-16(11-13(3)4)17-15-6-8-18(9-7-15)14(5)19/h12-13,15-17H,6-11H2,1-5H3
InChIKeyHFBJVINYMFBDPU-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.05
Rot. Bonds6

About 1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone

1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone (PubChem CID 43745923) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone
PubChem CID43745923
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-12(2)10-16(11-13(3)4)17-15-6-8-18(9-7-15)14(5)19/h12-13,15-17H,6-11H2,1-5H3
InChIKeyHFBJVINYMFBDPU-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 43223288
ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate
CID 61246563
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
CID 79254180
2-[(1-acetylpiperidin-4-yl)amino]butanoic acid
CID 115352992
N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
CID 62671383
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 115639941
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62639484
N-(1-acetylpiperidin-4-yl)-2-methoxypropanamide
CID 47308595

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone (CID 43745923) is 1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(CC(C)C)CC(C)C)CC1.
What is the InChIKey of 1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone?
The InChIKey is HFBJVINYMFBDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)10-16(11-13(3)4)17-15-6-8-18(9-7-15)14(5)19/h12-13,15-17H,6-11H2,1-5H3.
What are the key properties of 1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone?
1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone has a molecular weight of 268.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43745923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).