2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

C25H28ClN3O3 — CID 50768064

IUPAC2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CC3CCN(C(=O)c4ccccc4Cl)CC3)c2c1
InChIInChI=1S/C25H28ClN3O3/c1-32-19-6-7-23-21(15-19)18(16-28-23)8-11-27-24(30)14-17-9-12-29(13-10-17)25(31)20-4-2-3-5-22(20)26/h2-7,15-17,28H,8-14H2,1H3,(H,27,30)
InChIKeyQABARUJCAFGCDE-UHFFFAOYSA-N
MW453.97 g/mol
LogP4.43
Rot. Bonds7

About 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 50768064) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID50768064
Molecular FormulaC25H28ClN3O3
Molecular Weight453.97 g/mol
Exact Mass453.18
IUPAC Name2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CC3CCN(C(=O)c4ccccc4Cl)CC3)c2c1
InChIInChI=1S/C25H28ClN3O3/c1-32-19-6-7-23-21(15-19)18(16-28-23)8-11-27-24(30)14-17-9-12-29(13-10-17)25(31)20-4-2-3-5-22(20)26/h2-7,15-17,28H,8-14H2,1H3,(H,27,30)
InChIKeyQABARUJCAFGCDE-UHFFFAOYSA-N
XLogP4.43
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 127049127
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 127255155
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086545
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 93076085
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72928968
2-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 93153288
[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 169087243
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 50768064) is 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCNC(=O)CC3CCN(C(=O)c4ccccc4Cl)CC3)c2c1.
What is the InChIKey of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is QABARUJCAFGCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3/c1-32-19-6-7-23-21(15-19)18(16-28-23)8-11-27-24(30)14-17-9-12-29(13-10-17)25(31)20-4-2-3-5-22(20)26/h2-7,15-17,28H,8-14H2,1H3,(H,27,30).
What are the key properties of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 453.97 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 50768064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).