2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide

C26H30ClN3O4 — CID 24989652

IUPAC2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide
SMILESCOc1cccc(OC)c1C1CCN(C(=O)c2cc3cc(Cl)ccc3n2CC(=O)N(C)C)CC1
InChIInChI=1S/C26H30ClN3O4/c1-28(2)24(31)16-30-20-9-8-19(27)14-18(20)15-21(30)26(32)29-12-10-17(11-13-29)25-22(33-3)6-5-7-23(25)34-4/h5-9,14-15,17H,10-13,16H2,1-4H3
InChIKeyDUOCKPSCCINLGL-UHFFFAOYSA-N
MW484.00 g/mol
LogP4.42
Rot. Bonds6

About 2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide

2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide (PubChem CID 24989652) has the molecular formula C26H30ClN3O4 and a molecular weight of 484.00 g/mol. Its IUPAC name is 2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide
PubChem CID24989652
Molecular FormulaC26H30ClN3O4
Molecular Weight484.00 g/mol
Exact Mass483.19
IUPAC Name2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide
SMILESCOc1cccc(OC)c1C1CCN(C(=O)c2cc3cc(Cl)ccc3n2CC(=O)N(C)C)CC1
InChIInChI=1S/C26H30ClN3O4/c1-28(2)24(31)16-30-20-9-8-19(27)14-18(20)15-21(30)26(32)29-12-10-17(11-13-29)25-22(33-3)6-5-7-23(25)34-4/h5-9,14-15,17H,10-13,16H2,1-4H3
InChIKeyDUOCKPSCCINLGL-UHFFFAOYSA-N
XLogP4.42
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(5-chloro-2-methylphenyl)-1-[4-(2,6-dimethoxyphenyl)piperidin-1-yl]-2-methylprop-2-en-1-one
CID 143687481
[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 155568608
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171681053
2-[3-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 59429618
azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone
CID 146604568
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 163426764

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide (CID 24989652) is 2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide is COc1cccc(OC)c1C1CCN(C(=O)c2cc3cc(Cl)ccc3n2CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide?
The InChIKey is DUOCKPSCCINLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O4/c1-28(2)24(31)16-30-20-9-8-19(27)14-18(20)15-21(30)26(32)29-12-10-17(11-13-29)25-22(33-3)6-5-7-23(25)34-4/h5-9,14-15,17H,10-13,16H2,1-4H3.
What are the key properties of 2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide?
2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 484.00 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[4-(2,6-dimethoxyphenyl)piperidine-1-carbonyl]indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 24989652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).