azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone

C14H26N2O — CID 64571164

IUPACazepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)C2CCCCCN2)CC1
InChIInChI=1S/C14H26N2O/c1-14(2)7-10-16(11-8-14)13(17)12-6-4-3-5-9-15-12/h12,15H,3-11H2,1-2H3
InChIKeyGRCNRPAIXFMURA-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds1

About azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone

azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 64571164) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID64571164
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Nameazepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)C2CCCCCN2)CC1
InChIInChI=1S/C14H26N2O/c1-14(2)7-10-16(11-8-14)13(17)12-6-4-3-5-9-15-12/h12,15H,3-11H2,1-2H3
InChIKeyGRCNRPAIXFMURA-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
CID 116991084
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid
CID 104913902
2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119805330

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone (CID 64571164) is azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)C2CCCCCN2)CC1.
What is the InChIKey of azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is GRCNRPAIXFMURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2)7-10-16(11-8-14)13(17)12-6-4-3-5-9-15-12/h12,15H,3-11H2,1-2H3.
What are the key properties of azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone?
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 64571164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).