(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone

C21H28N2O3 — CID 126767282

IUPAC(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)C4CCC(O)CC4)CC3)c2c1
InChIInChI=1S/C21H28N2O3/c1-26-17-6-7-20-18(12-17)19(13-22-20)14-8-10-23(11-9-14)21(25)15-2-4-16(24)5-3-15/h6-7,12-16,22,24H,2-5,8-11H2,1H3
InChIKeyCIMWMNSKFWLOAX-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.43
Rot. Bonds3

About (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone

(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 126767282) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID126767282
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)C4CCC(O)CC4)CC3)c2c1
InChIInChI=1S/C21H28N2O3/c1-26-17-6-7-20-18(12-17)19(13-22-20)14-8-10-23(11-9-14)21(25)15-2-4-16(24)5-3-15/h6-7,12-16,22,24H,2-5,8-11H2,1H3
InChIKeyCIMWMNSKFWLOAX-UHFFFAOYSA-N
XLogP3.43
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-pyrimidin-5-ylethanone
CID 100729080
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 126769292
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 86833054

Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone (CID 126767282) is (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone is COc1ccc2[nH]cc(C3CCN(C(=O)C4CCC(O)CC4)CC3)c2c1.
What is the InChIKey of (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is CIMWMNSKFWLOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-26-17-6-7-20-18(12-17)19(13-22-20)14-8-10-23(11-9-14)21(25)15-2-4-16(24)5-3-15/h6-7,12-16,22,24H,2-5,8-11H2,1H3.
What are the key properties of (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126767282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).