azepan-1-yl-(4-methylpiperidin-4-yl)methanone

C13H24N2O — CID 63121497

IUPACazepan-1-yl-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)N2CCCCCC2)CCNCC1
InChIInChI=1S/C13H24N2O/c1-13(6-8-14-9-7-13)12(16)15-10-4-2-3-5-11-15/h14H,2-11H2,1H3
InChIKeyKRMZPMVJENEPQT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds1

About azepan-1-yl-(4-methylpiperidin-4-yl)methanone

azepan-1-yl-(4-methylpiperidin-4-yl)methanone (PubChem CID 63121497) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is azepan-1-yl-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-methylpiperidin-4-yl)methanone
PubChem CID63121497
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameazepan-1-yl-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)N2CCCCCC2)CCNCC1
InChIInChI=1S/C13H24N2O/c1-13(6-8-14-9-7-13)12(16)15-10-4-2-3-5-11-15/h14H,2-11H2,1H3
InChIKeyKRMZPMVJENEPQT-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate
CID 63121313
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121475
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid
CID 68759041
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458
2-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79608498
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 107217447
3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone
CID 114409116

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(4-methylpiperidin-4-yl)methanone (CID 63121497) is azepan-1-yl-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(4-methylpiperidin-4-yl)methanone is CC1(C(=O)N2CCCCCC2)CCNCC1.
What is the InChIKey of azepan-1-yl-(4-methylpiperidin-4-yl)methanone?
The InChIKey is KRMZPMVJENEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(6-8-14-9-7-13)12(16)15-10-4-2-3-5-11-15/h14H,2-11H2,1H3.
What are the key properties of azepan-1-yl-(4-methylpiperidin-4-yl)methanone?
azepan-1-yl-(4-methylpiperidin-4-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 63121497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).