(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone

C13H14ClN3O — CID 82277575

IUPAC(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
SMILESO=C(c1c[nH]c2ccc(Cl)cc12)N1CCNCC1
InChIInChI=1S/C13H14ClN3O/c14-9-1-2-12-10(7-9)11(8-16-12)13(18)17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6H2
InChIKeyOQDKTNGSUARFRN-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.87
Rot. Bonds1

About (5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone

(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone (PubChem CID 82277575) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
PubChem CID82277575
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
SMILESO=C(c1c[nH]c2ccc(Cl)cc12)N1CCNCC1
InChIInChI=1S/C13H14ClN3O/c14-9-1-2-12-10(7-9)11(8-16-12)13(18)17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6H2
InChIKeyOQDKTNGSUARFRN-UHFFFAOYSA-N
XLogP1.87
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde
CID 113205789
(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 113205820
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 113208208
(4-chloro-2-sulfanylphenyl)-piperazin-1-ylmethanone
CID 82512015
6-chloro-3-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 91639767
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
(5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone
CID 43088523
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
(4-chloro-2-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400657

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone (CID 82277575) is (5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone is O=C(c1c[nH]c2ccc(Cl)cc12)N1CCNCC1.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is OQDKTNGSUARFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-9-1-2-12-10(7-9)11(8-16-12)13(18)17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6H2.
What are the key properties of (5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone?
(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 263.73 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82277575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).