[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C18H17ClN2OS — CID 113087464

IUPAC[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H17ClN2OS/c19-13-3-4-16-14(10-13)15(11-20-16)12-5-7-21(8-6-12)18(22)17-2-1-9-23-17/h1-4,9-12,20H,5-8H2
InChIKeyPUCRPFKIYQUWIU-UHFFFAOYSA-N
MW344.87 g/mol
LogP4.90
Rot. Bonds2

About [4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 113087464) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is [4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID113087464
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC Name[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H17ClN2OS/c19-13-3-4-16-14(10-13)15(11-20-16)12-5-7-21(8-6-12)18(22)17-2-1-9-23-17/h1-4,9-12,20H,5-8H2
InChIKeyPUCRPFKIYQUWIU-UHFFFAOYSA-N
XLogP4.90
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 15951336
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110711020
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580369
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 113087458
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 113087483
4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide
CID 113087497
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087492
[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580370
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one
CID 18414110
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 113087464) is [4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of [4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is PUCRPFKIYQUWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c19-13-3-4-16-14(10-13)15(11-20-16)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-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 344.87 g/mol, XLogP of 4.90, 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-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 113087464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).