(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone

C14H15ClN2O — CID 64867873

IUPAC(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)C1CCCCN1
InChIInChI=1S/C14H15ClN2O/c15-9-4-5-10-11(8-17-13(10)7-9)14(18)12-3-1-2-6-16-12/h4-5,7-8,12,16-17H,1-3,6H2
InChIKeyMHOCUPOYLSCSAE-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.15
Rot. Bonds2

About (6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone

(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone (PubChem CID 64867873) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone
PubChem CID64867873
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)C1CCCCN1
InChIInChI=1S/C14H15ClN2O/c15-9-4-5-10-11(8-17-13(10)7-9)14(18)12-3-1-2-6-16-12/h4-5,7-8,12,16-17H,1-3,6H2
InChIKeyMHOCUPOYLSCSAE-UHFFFAOYSA-N
XLogP3.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 162765688
(6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176419
(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 162765620
(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 84639028
CID 170645729
CID 170645729
6-chloro-1H-indole-3-carboxamide
CID 130666489
(2-amino-5-chloro-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547814
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 84630313

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone?
The IUPAC name of (6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone (CID 64867873) is (6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone is O=C(c1c[nH]c2cc(Cl)ccc12)C1CCCCN1.
What is the InChIKey of (6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone?
The InChIKey is MHOCUPOYLSCSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-9-4-5-10-11(8-17-13(10)7-9)14(18)12-3-1-2-6-16-12/h4-5,7-8,12,16-17H,1-3,6H2.
What are the key properties of (6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone?
(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone has a molecular weight of 262.74 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 64867873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).