2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide

C25H28ClN3O2 — CID 50816947

IUPAC2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCCCc1ccccc1
InChIInChI=1S/C25H28ClN3O2/c26-21-8-9-22-20(16-21)17-23(28-22)25(31)29-13-10-19(11-14-29)15-24(30)27-12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,16-17,19,28H,4,7,10-15H2,(H,27,30)
InChIKeyLJUQSQRKRBHSAZ-UHFFFAOYSA-N
MW437.97 g/mol
LogP4.81
Rot. Bonds7

About 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide

2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 50816947) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide
PubChem CID50816947
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCCCc1ccccc1
InChIInChI=1S/C25H28ClN3O2/c26-21-8-9-22-20(16-21)17-23(28-22)25(31)29-13-10-19(11-14-29)15-24(30)27-12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,16-17,19,28H,4,7,10-15H2,(H,27,30)
InChIKeyLJUQSQRKRBHSAZ-UHFFFAOYSA-N
XLogP4.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 50816974
N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 46376376
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 93077018
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 94089259
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
N-[2-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 70018590

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide (CID 50816947) is 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide is O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCCCc1ccccc1.
What is the InChIKey of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is LJUQSQRKRBHSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c26-21-8-9-22-20(16-21)17-23(28-22)25(31)29-13-10-19(11-14-29)15-24(30)27-12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,16-17,19,28H,4,7,10-15H2,(H,27,30).
What are the key properties of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide?
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 437.97 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 50816947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).