[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone

C18H17ClN2O2 — CID 113088821

IUPAC[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCC(c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C18H17ClN2O2/c19-14-5-6-15-13(9-14)10-16(20-15)12-3-1-7-21(11-12)18(22)17-4-2-8-23-17/h2,4-6,8-10,12,20H,1,3,7,11H2
InChIKeyTWUHEXBJQZVZPF-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.43
Rot. Bonds2

About [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone

[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 113088821) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID113088821
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCC(c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C18H17ClN2O2/c19-14-5-6-15-13(9-14)10-16(20-15)12-3-1-7-21(11-12)18(22)17-4-2-8-23-17/h2,4-6,8-10,12,20H,1,3,7,11H2
InChIKeyTWUHEXBJQZVZPF-UHFFFAOYSA-N
XLogP4.43
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84579210
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826
3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 113088846
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088842
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 43043371
N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46520147
2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061527

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone (CID 113088821) is [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCCC(c2cc3cc(Cl)ccc3[nH]2)C1.
What is the InChIKey of [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is TWUHEXBJQZVZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-14-5-6-15-13(9-14)10-16(20-15)12-3-1-7-21(11-12)18(22)17-4-2-8-23-17/h2,4-6,8-10,12,20H,1,3,7,11H2.
What are the key properties of [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 328.80 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 113088821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).