cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone

C15H28N2O — CID 114498190

IUPACcycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)C2CCCCCC2)CC1C
InChIInChI=1S/C15H28N2O/c1-12-11-17(10-9-14(12)16-2)15(18)13-7-5-3-4-6-8-13/h12-14,16H,3-11H2,1-2H3
InChIKeyDDPFIIYWJGSHNZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds2

About cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone

cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 114498190) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID114498190
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Namecycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)C2CCCCCC2)CC1C
InChIInChI=1S/C15H28N2O/c1-12-11-17(10-9-14(12)16-2)15(18)13-7-5-3-4-6-8-13/h12-14,16H,3-11H2,1-2H3
InChIKeyDDPFIIYWJGSHNZ-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498355
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
[3-methyl-4-(methylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498376
(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
CID 114683217
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498750
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 176981883
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 114498190) is cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)C2CCCCCC2)CC1C.
What is the InChIKey of cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is DDPFIIYWJGSHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-11-17(10-9-14(12)16-2)15(18)13-7-5-3-4-6-8-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 252.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 114498190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).