methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate

C24H25ClN2O3 — CID 41108918

IUPACmethyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C24H25ClN2O3/c1-30-24(29)18-10-12-26(13-11-18)23(28)14-19-16-27(22-5-3-2-4-21(19)22)15-17-6-8-20(25)9-7-17/h2-9,16,18H,10-15H2,1H3
InChIKeyHKZBOGZDYTZGJV-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.30
Rot. Bonds5

About methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate

methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate (PubChem CID 41108918) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate
PubChem CID41108918
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Namemethyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C24H25ClN2O3/c1-30-24(29)18-10-12-26(13-11-18)23(28)14-19-16-27(22-5-3-2-4-21(19)22)15-17-6-8-20(25)9-7-17/h2-9,16,18H,10-15H2,1H3
InChIKeyHKZBOGZDYTZGJV-UHFFFAOYSA-N
XLogP4.30
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide
CID 41108899
ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate
CID 41108922
1-(azepan-1-yl)-2-[1-[(3-chlorophenyl)methyl]indol-3-yl]ethanone
CID 12004832
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166514
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
CID 25031483
methyl 1-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate
CID 30559699
methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate
CID 170456736
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
methyl 1-[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111255122
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate (CID 41108918) is methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1.
What is the InChIKey of methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is HKZBOGZDYTZGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-30-24(29)18-10-12-26(13-11-18)23(28)14-19-16-27(22-5-3-2-4-21(19)22)15-17-6-8-20(25)9-7-17/h2-9,16,18H,10-15H2,1H3.
What are the key properties of methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 424.93 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 41108918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).