N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide

C20H27N3O2 — CID 111109545

IUPACN-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C20H27N3O2/c24-16-10-8-15(9-11-16)21-20(25)23-12-4-3-7-19(23)18-13-14-5-1-2-6-17(14)22-18/h1-2,5-6,13,15-16,19,22,24H,3-4,7-12H2,(H,21,25)
InChIKeyHFOVQSYTQPRNOW-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.71
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide

N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide (PubChem CID 111109545) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
PubChem CID111109545
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C20H27N3O2/c24-16-10-8-15(9-11-16)21-20(25)23-12-4-3-7-19(23)18-13-14-5-1-2-6-17(14)22-18/h1-2,5-6,13,15-16,19,22,24H,3-4,7-12H2,(H,21,25)
InChIKeyHFOVQSYTQPRNOW-UHFFFAOYSA-N
XLogP3.71
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95324295
(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 98900942
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 154757998
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 110894690
(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 71878068
2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055616
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088993

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide (CID 111109545) is N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCCCC1c1cc2ccccc2[nH]1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide?
The InChIKey is HFOVQSYTQPRNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-16-10-8-15(9-11-16)21-20(25)23-12-4-3-7-19(23)18-13-14-5-1-2-6-17(14)22-18/h1-2,5-6,13,15-16,19,22,24H,3-4,7-12H2,(H,21,25).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide?
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111109545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).