azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone

C16H30N2O2 — CID 110932465

IUPACazepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone
SMILESCC(C)(O)CN1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,20)13-17-11-7-14(8-12-17)15(19)18-9-5-3-4-6-10-18/h14,20H,3-13H2,1-2H3
InChIKeyGMQXXKNCIXKWDP-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.87
Rot. Bonds3

About azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone

azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone (PubChem CID 110932465) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone
PubChem CID110932465
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameazepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone
SMILESCC(C)(O)CN1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,20)13-17-11-7-14(8-12-17)15(19)18-9-5-3-4-6-10-18/h14,20H,3-13H2,1-2H3
InChIKeyGMQXXKNCIXKWDP-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 120847877
ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
CID 60886735
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 44616106
4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 63655372
[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 111113275
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
[1-[(E)-3-chloroprop-2-enyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134055065

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone (CID 110932465) is azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone is CC(C)(O)CN1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone?
The InChIKey is GMQXXKNCIXKWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,20)13-17-11-7-14(8-12-17)15(19)18-9-5-3-4-6-10-18/h14,20H,3-13H2,1-2H3.
What are the key properties of azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone has a molecular weight of 282.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 110932465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).