4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid

C17H19ClN2O2 — CID 139510841

IUPAC4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cn(C3CC3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H19ClN2O2/c18-12-1-4-16-14(9-12)15(10-20(16)13-2-3-13)11-5-7-19(8-6-11)17(21)22/h1,4,9-11,13H,2-3,5-8H2,(H,21,22)
InChIKeySDKCRVZCGOHTQO-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.49
Rot. Bonds2

About 4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid

4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid (PubChem CID 139510841) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid
PubChem CID139510841
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cn(C3CC3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H19ClN2O2/c18-12-1-4-16-14(9-12)15(10-20(16)13-2-3-13)11-5-7-19(8-6-11)17(21)22/h1,4,9-11,13H,2-3,5-8H2,(H,21,22)
InChIKeySDKCRVZCGOHTQO-UHFFFAOYSA-N
XLogP4.49
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730
2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid
CID 83785093
tert-butyl 3-[5-chloro-3-[1-(3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carbonyl)piperidin-4-yl]indol-1-yl]azetidine-1-carboxylate
CID 156674361
4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid
CID 22312003
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
5-chloro-3-cyclohexyl-1-methylindole
CID 135084055
1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
CID 140512858
1-cyclopropyl-5-methylindole-3-carboxylic acid
CID 115029082
4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid
CID 130303023
4-[2-chloro-4-(hydroxymethyl)phenyl]piperidine-1-carboxylic acid
CID 130303228
4-[4-(bromomethyl)-2-ethylphenyl]piperidine-1-carboxylic acid
CID 118628074
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(4-chlorophenyl)methanone;(E)-but-2-enedioic acid
CID 67638184

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid (CID 139510841) is 4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2cn(C3CC3)c3ccc(Cl)cc23)CC1.
What is the InChIKey of 4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid?
The InChIKey is SDKCRVZCGOHTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-12-1-4-16-14(9-12)15(10-20(16)13-2-3-13)11-5-7-19(8-6-11)17(21)22/h1,4,9-11,13H,2-3,5-8H2,(H,21,22).
What are the key properties of 4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid?
4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid has a molecular weight of 318.80 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 139510841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).