1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C16H30N2O — CID 110667071

IUPAC1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)15(19)18-12-8-14(9-13-18)17-10-6-4-5-7-11-17/h14H,4-13H2,1-3H3
InChIKeySNIMQQXTMOXFGW-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.90
Rot. Bonds1

About 1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 110667071) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID110667071
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)15(19)18-12-8-14(9-13-18)17-10-6-4-5-7-11-17/h14H,4-13H2,1-3H3
InChIKeySNIMQQXTMOXFGW-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 103733241
2,2-dimethyl-3-oxo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanethioamide
CID 55224044
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
2-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 46975441
3-amino-2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63168632
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58584550
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 110667071) is 1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(N2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SNIMQQXTMOXFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2,3)15(19)18-12-8-14(9-13-18)17-10-6-4-5-7-11-17/h14H,4-13H2,1-3H3.
What are the key properties of 1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 110667071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).