N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide

C21H27N3O — CID 165485504

IUPACN-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESO=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)C12CC(C1)C2
InChIInChI=1S/C21H27N3O/c25-20(21-11-15(12-21)13-21)23-17-6-9-24(10-7-17)8-5-16-14-22-19-4-2-1-3-18(16)19/h1-4,14-15,17,22H,5-13H2,(H,23,25)
InChIKeyJVVWRSCLCNLBPH-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.09
Rot. Bonds5

About N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide

N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 165485504) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID165485504
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESO=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)C12CC(C1)C2
InChIInChI=1S/C21H27N3O/c25-20(21-11-15(12-21)13-21)23-17-6-9-24(10-7-17)8-5-16-14-22-19-4-2-1-3-18(16)19/h1-4,14-15,17,22H,5-13H2,(H,23,25)
InChIKeyJVVWRSCLCNLBPH-UHFFFAOYSA-N
XLogP3.09
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Related Compounds

2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide
CID 123331590
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278
4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 22754835
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 172664377
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide (CID 165485504) is N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide is O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)C12CC(C1)C2.
What is the InChIKey of N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is JVVWRSCLCNLBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-20(21-11-15(12-21)13-21)23-17-6-9-24(10-7-17)8-5-16-14-22-19-4-2-1-3-18(16)19/h1-4,14-15,17,22H,5-13H2,(H,23,25).
What are the key properties of N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide?
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 165485504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).