ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate

C16H19ClN2O2 — CID 84582484

IUPACethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C16H19ClN2O2/c1-2-21-16(20)19-7-5-11(6-8-19)15-10-12-9-13(17)3-4-14(12)18-15/h3-4,9-11,18H,2,5-8H2,1H3
InChIKeyYZNUNACRPBWYJZ-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.16
Rot. Bonds2

About ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate

ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate (PubChem CID 84582484) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate
PubChem CID84582484
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Nameethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C16H19ClN2O2/c1-2-21-16(20)19-7-5-11(6-8-19)15-10-12-9-13(17)3-4-14(12)18-15/h3-4,9-11,18H,2,5-8H2,1H3
InChIKeyYZNUNACRPBWYJZ-UHFFFAOYSA-N
XLogP4.16
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 84582617
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580369
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84579210
ethyl 2-cyclopropyl-1H-indole-5-carboxylate
CID 155891220
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113088197
1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088842
ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 113204728
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
ethyl 4-(4-chloro-2-formamidoanilino)piperidine-1-carboxylate
CID 168651983
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate (CID 84582484) is ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate?
The InChIKey is YZNUNACRPBWYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-2-21-16(20)19-7-5-11(6-8-19)15-10-12-9-13(17)3-4-14(12)18-15/h3-4,9-11,18H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate?
ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate has a molecular weight of 306.79 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 84582484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).