2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C24H28ClN5O2 — CID 166364808

IUPAC2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESNCCCn1ccc2cc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C24H28ClN5O2/c25-20-4-1-2-5-21(20)27-23(31)17-28-12-14-30(15-13-28)24(32)19-6-7-22-18(16-19)8-11-29(22)10-3-9-26/h1-2,4-8,11,16H,3,9-10,12-15,17,26H2,(H,27,31)
InChIKeyAGVLSLNTPGDTLJ-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.04
Rot. Bonds7

About 2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 166364808) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID166364808
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESNCCCn1ccc2cc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C24H28ClN5O2/c25-20-4-1-2-5-21(20)27-23(31)17-28-12-14-30(15-13-28)24(32)19-6-7-22-18(16-19)8-11-29(22)10-3-9-26/h1-2,4-8,11,16H,3,9-10,12-15,17,26H2,(H,27,31)
InChIKeyAGVLSLNTPGDTLJ-UHFFFAOYSA-N
XLogP3.04
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833686
N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9020752
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833651
N-(2-chlorophenyl)-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 27860881
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 31333414
N-(2-chlorophenyl)-2-[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 31333305
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55553446
2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833689
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-(4-anilino-3-nitrobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 46664005
2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8749038
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 166364808) is 2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is NCCCn1ccc2cc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is AGVLSLNTPGDTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c25-20-4-1-2-5-21(20)27-23(31)17-28-12-14-30(15-13-28)24(32)19-6-7-22-18(16-19)8-11-29(22)10-3-9-26/h1-2,4-8,11,16H,3,9-10,12-15,17,26H2,(H,27,31).
What are the key properties of 2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 453.97 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 166364808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).