[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone

C18H17ClN2O2 — CID 84579210

IUPAC[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C18H17ClN2O2/c19-14-3-4-15-13(10-14)11-16(20-15)12-5-7-21(8-6-12)18(22)17-2-1-9-23-17/h1-4,9-12,20H,5-8H2
InChIKeyDIWNKXUWKBEGSS-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.43
Rot. Bonds2

About [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone

[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 84579210) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID84579210
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C18H17ClN2O2/c19-14-3-4-15-13(10-14)11-16(20-15)12-5-7-21(8-6-12)18(22)17-2-1-9-23-17/h1-4,9-12,20H,5-8H2
InChIKeyDIWNKXUWKBEGSS-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

[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 113088821
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580369
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 84582617
ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate
CID 84582484
[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38908871
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113088197
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 647639
[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

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone (CID 84579210) is [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is DIWNKXUWKBEGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-14-3-4-15-13(10-14)11-16(20-15)12-5-7-21(8-6-12)18(22)17-2-1-9-23-17/h1-4,9-12,20H,5-8H2.
What are the key properties of [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
[4-(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 [4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 84579210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).