cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone

C16H28N2O2 — CID 43791479

IUPACcyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
SMILESCOC1CCCCC1NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O2/c1-20-15-5-3-2-4-14(15)17-13-8-10-18(11-9-13)16(19)12-6-7-12/h12-15,17H,2-11H2,1H3
InChIKeyKHMNJUBYGSWMAO-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.93
Rot. Bonds4

About cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone

cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone (PubChem CID 43791479) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
PubChem CID43791479
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namecyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
SMILESCOC1CCCCC1NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O2/c1-20-15-5-3-2-4-14(15)17-13-8-10-18(11-9-13)16(19)12-6-7-12/h12-15,17H,2-11H2,1H3
InChIKeyKHMNJUBYGSWMAO-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone
CID 43791436
[(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 96999545
1-[4-[(2-cyclopentyloxycyclohexyl)amino]piperidin-1-yl]ethanone
CID 84596160
N-(2-methoxycyclopentyl)cyclododecanamine
CID 63477774
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
cyclopropyl-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]methanone
CID 115335726
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
4-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]piperidine-1-carboxamide
CID 43791478
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492
(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
CID 158470513
cyclopropyl-[4-(pentan-3-ylamino)piperidin-1-yl]methanone
CID 43747893
cyclopropyl-[4-(3-methoxybutan-2-ylamino)piperidin-1-yl]methanone
CID 115709034

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone (CID 43791479) is cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone is COC1CCCCC1NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone?
The InChIKey is KHMNJUBYGSWMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-15-5-3-2-4-14(15)17-13-8-10-18(11-9-13)16(19)12-6-7-12/h12-15,17H,2-11H2,1H3.
What are the key properties of cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone has a molecular weight of 280.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 43791479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).