(4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone

C27H32N2O3 — CID 171358988

IUPAC(4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCOC1CC(C(=O)N2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)CCC1O
InChIInChI=1S/C27H32N2O3/c1-32-24-17-20(11-12-23(24)30)27(31)29-15-13-18(14-16-29)25-21-9-5-6-10-22(21)28-26(25)19-7-3-2-4-8-19/h2-10,18,20,23-24,28,30H,11-17H2,1H3
InChIKeyRPOVOZFGQUYNBS-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.72
Rot. Bonds4

About (4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone

(4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 171358988) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is (4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID171358988
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name(4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCOC1CC(C(=O)N2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)CCC1O
InChIInChI=1S/C27H32N2O3/c1-32-24-17-20(11-12-23(24)30)27(31)29-15-13-18(14-16-29)25-21-9-5-6-10-22(21)28-26(25)19-7-3-2-4-8-19/h2-10,18,20,23-24,28,30H,11-17H2,1H3
InChIKeyRPOVOZFGQUYNBS-UHFFFAOYSA-N
XLogP4.72
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113087329
2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol
CID 18354698
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 154817199
2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087303
4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113087330
[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 155506967
N-[1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 60552877
methyl 4-[4-[(1S,3R,4R)-4-amino-3-methoxycyclohexanecarbonyl]piperazin-1-yl]benzoate
CID 154819158
[4-(1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631960
2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087318
methyl 4-[4-[(1S,3R,4R)-4-amino-3-methoxycyclohexanecarbonyl]piperazin-1-yl]benzoate;hydrochloride
CID 163333972

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone (CID 171358988) is (4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone is COC1CC(C(=O)N2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)CCC1O.
What is the InChIKey of (4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is RPOVOZFGQUYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-32-24-17-20(11-12-23(24)30)27(31)29-15-13-18(14-16-29)25-21-9-5-6-10-22(21)28-26(25)19-7-3-2-4-8-19/h2-10,18,20,23-24,28,30H,11-17H2,1H3.
What are the key properties of (4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone?
(4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 432.56 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methoxycyclohexyl)-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 171358988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).