(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone

C18H32N2O3 — CID 119341879

IUPAC(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(OCC3CCCCO3)CC2)CCCCC1
InChIInChI=1S/C18H32N2O3/c19-18(9-3-1-4-10-18)17(21)20-11-7-15(8-12-20)23-14-16-6-2-5-13-22-16/h15-16H,1-14,19H2
InChIKeyKGKCLUKOQWRSOO-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.22
Rot. Bonds4

About (1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone

(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 119341879) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID119341879
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(OCC3CCCCO3)CC2)CCCCC1
InChIInChI=1S/C18H32N2O3/c19-18(9-3-1-4-10-18)17(21)20-11-7-15(8-12-20)23-14-16-6-2-5-13-22-16/h15-16H,1-14,19H2
InChIKeyKGKCLUKOQWRSOO-UHFFFAOYSA-N
XLogP2.22
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119815521
(1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60937349
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
CID 126777502
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119815509
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119815525
[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119341852
methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate
CID 124609824
(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 136532454
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119815515
(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119326965
(1-aminocyclopentyl)-[(2S)-2-(methoxymethyl)morpholin-4-yl]methanone
CID 125119390

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone (CID 119341879) is (1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone is NC1(C(=O)N2CCC(OCC3CCCCO3)CC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is KGKCLUKOQWRSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c19-18(9-3-1-4-10-18)17(21)20-11-7-15(8-12-20)23-14-16-6-2-5-13-22-16/h15-16H,1-14,19H2.
What are the key properties of (1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 324.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 119341879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).