[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

C26H28ClN3O3 — CID 66571098

IUPAC[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C26H28ClN3O3/c27-22-7-5-19(6-8-22)18-30-23-4-2-1-3-21(23)17-24(30)26(32)28-11-9-20(10-12-28)25(31)29-13-15-33-16-14-29/h1-8,17,20H,9-16,18H2
InChIKeyRHRAQHJGVIXETO-UHFFFAOYSA-N
MW465.98 g/mol
LogP4.05
Rot. Bonds4

About [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 66571098) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID66571098
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC Name[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C26H28ClN3O3/c27-22-7-5-19(6-8-22)18-30-23-4-2-1-3-21(23)17-24(30)26(32)28-11-9-20(10-12-28)25(31)29-13-15-33-16-14-29/h1-8,17,20H,9-16,18H2
InChIKeyRHRAQHJGVIXETO-UHFFFAOYSA-N
XLogP4.05
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-Chloro-5-methyl-4-oxo-3-phenyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide
CID 9930560
1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
1-[2-(2,4-dichlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801005
1-[2-(4-chlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801009
1-[(3-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801045
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 23647200
N-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 11712530
1-Benzyl-4-{3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propionyl}-piperazin-2-one
CID 18669080
1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]indole-2-carboxamide
CID 58355366
1-[1-[(2-Chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
CID 2233828
1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-9-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-
CID 365677
1-(3-chlorophenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801048

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 66571098) is [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is RHRAQHJGVIXETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c27-22-7-5-19(6-8-22)18-30-23-4-2-1-3-21(23)17-24(30)26(32)28-11-9-20(10-12-28)25(31)29-13-15-33-16-14-29/h1-8,17,20H,9-16,18H2.
What are the key properties of [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 465.98 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 66571098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).