4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde

C14H14ClN3O2 — CID 113205789

IUPAC4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C14H14ClN3O2/c15-10-1-2-13-11(7-10)12(8-16-13)14(20)18-5-3-17(9-19)4-6-18/h1-2,7-9,16H,3-6H2
InChIKeyCDZAXXKKSSBBEF-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.74
Rot. Bonds2

About 4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde

4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde (PubChem CID 113205789) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde
PubChem CID113205789
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C14H14ClN3O2/c15-10-1-2-13-11(7-10)12(8-16-13)14(20)18-5-3-17(9-19)4-6-18/h1-2,7-9,16H,3-6H2
InChIKeyCDZAXXKKSSBBEF-UHFFFAOYSA-N
XLogP1.74
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 82277575
(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 113205820
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 113208208
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
6-chloro-3-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 91639767
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
CID 67585696
(6-chloro-1H-indol-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 113206391
(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
CID 55257460
1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione
CID 45271900
5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306175
5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
CID 135742381

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde (CID 113205789) is 4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is CDZAXXKKSSBBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-10-1-2-13-11(7-10)12(8-16-13)14(20)18-5-3-17(9-19)4-6-18/h1-2,7-9,16H,3-6H2.
What are the key properties of 4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde?
4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 291.74 g/mol, XLogP of 1.74, 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-indole-3-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 113205789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).