3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide

C24H28ClN3O — CID 42778001

IUPAC3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
SMILESO=C(CC(c1cccc(Cl)c1)c1c[nH]c2ccccc12)NCCN1CCCCC1
InChIInChI=1S/C24H28ClN3O/c25-19-8-6-7-18(15-19)21(22-17-27-23-10-3-2-9-20(22)23)16-24(29)26-11-14-28-12-4-1-5-13-28/h2-3,6-10,15,17,21,27H,1,4-5,11-14,16H2,(H,26,29)
InChIKeyPXUYKSQIDFAIMS-UHFFFAOYSA-N
MW409.96 g/mol
LogP4.95
Rot. Bonds7

About 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide

3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 42778001) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID42778001
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
SMILESO=C(CC(c1cccc(Cl)c1)c1c[nH]c2ccccc12)NCCN1CCCCC1
InChIInChI=1S/C24H28ClN3O/c25-19-8-6-7-18(15-19)21(22-17-27-23-10-3-2-9-20(22)23)16-24(29)26-11-14-28-12-4-1-5-13-28/h2-3,6-10,15,17,21,27H,1,4-5,11-14,16H2,(H,26,29)
InChIKeyPXUYKSQIDFAIMS-UHFFFAOYSA-N
XLogP4.95
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804840
3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46131354
(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 93064292
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774472
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46132436
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
CID 50901337
(3S)-N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93122634
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 42802173

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide (CID 42778001) is 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide is O=C(CC(c1cccc(Cl)c1)c1c[nH]c2ccccc12)NCCN1CCCCC1.
What is the InChIKey of 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is PXUYKSQIDFAIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c25-19-8-6-7-18(15-19)21(22-17-27-23-10-3-2-9-20(22)23)16-24(29)26-11-14-28-12-4-1-5-13-28/h2-3,6-10,15,17,21,27H,1,4-5,11-14,16H2,(H,26,29).
What are the key properties of 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 409.96 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 42778001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).