(5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone

C14H15ClN2O — CID 3939214

IUPAC(5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1
InChIInChI=1S/C14H15ClN2O/c15-11-4-5-12-10(8-11)9-13(16-12)14(18)17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7H2
InChIKeyJYJLUJUISXAZAF-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.45
Rot. Bonds1

About (5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone

(5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone (PubChem CID 3939214) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone
PubChem CID3939214
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1
InChIInChI=1S/C14H15ClN2O/c15-11-4-5-12-10(8-11)9-13(16-12)14(18)17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7H2
InChIKeyJYJLUJUISXAZAF-UHFFFAOYSA-N
XLogP3.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone (CID 3939214) is (5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone?
The InChIKey is JYJLUJUISXAZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-11-4-5-12-10(8-11)9-13(16-12)14(18)17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone?
(5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone has a molecular weight of 262.74 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 3939214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).