(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

C22H40N2O2 — CID 90616537

IUPAC(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCC(N3CCC(OC)CC3)CC2)CC1
InChIInChI=1S/C22H40N2O2/c1-3-4-5-18-6-8-19(9-7-18)22(25)24-14-10-20(11-15-24)23-16-12-21(26-2)13-17-23/h18-21H,3-17H2,1-2H3
InChIKeyOEULTCQQISFGCE-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.08
Rot. Bonds6

About (4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90616537) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is (4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90616537
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCC(N3CCC(OC)CC3)CC2)CC1
InChIInChI=1S/C22H40N2O2/c1-3-4-5-18-6-8-19(9-7-18)22(25)24-14-10-20(11-15-24)23-16-12-21(26-2)13-17-23/h18-21H,3-17H2,1-2H3
InChIKeyOEULTCQQISFGCE-UHFFFAOYSA-N
XLogP4.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxypiperidin-1-yl)-[1-(4-methylcyclohexyl)piperidin-4-yl]methanone
CID 171833705
(4-butylcyclohexyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624610
(4-butylcyclohexyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585138
[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
[4-(1-aminoethyl)piperidin-1-yl]-(4-butylcyclohexyl)methanone;hydrochloride
CID 119520046
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639058
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501545
(4-butylcyclohexyl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161250
methyl 1-(4-butylcyclohexanecarbonyl)piperidine-3-carboxylate
CID 108731313
2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616344
1-(4-butylcyclohexyl)pyrrolidine
CID 178017232

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90616537) is (4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is CCCCC1CCC(C(=O)N2CCC(N3CCC(OC)CC3)CC2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is OEULTCQQISFGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-3-4-5-18-6-8-19(9-7-18)22(25)24-14-10-20(11-15-24)23-16-12-21(26-2)13-17-23/h18-21H,3-17H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 364.57 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90616537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).