[3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate

C16H22N4O2 — CID 139331762

IUPAC[3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate
SMILESNCCc1cn(C2CCNCC2)c2ccc(OC(N)=O)cc12
InChIInChI=1S/C16H22N4O2/c17-6-3-11-10-20(12-4-7-19-8-5-12)15-2-1-13(9-14(11)15)22-16(18)21/h1-2,9-10,12,19H,3-8,17H2,(H2,18,21)
InChIKeyCABUYVRLRKMKME-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.52
Rot. Bonds4

About [3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate

[3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate (PubChem CID 139331762) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate.

Molecular Properties

Compound Name[3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate
PubChem CID139331762
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate
SMILESNCCc1cn(C2CCNCC2)c2ccc(OC(N)=O)cc12
InChIInChI=1S/C16H22N4O2/c17-6-3-11-10-20(12-4-7-19-8-5-12)15-2-1-13(9-14(11)15)22-16(18)21/h1-2,9-10,12,19H,3-8,17H2,(H2,18,21)
InChIKeyCABUYVRLRKMKME-UHFFFAOYSA-N
XLogP1.52
TPSA95.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate
CID 139331775
[3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate
CID 134563569
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
(1-piperidin-4-ylindol-6-yl) acetate
CID 174552540
(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
CID 174552539
2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid
CID 83785093
6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 69024914
2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
CID 134563338
4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane
CID 166467583
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
bis[3-(2-aminoethyl)-1H-indol-5-yl] hexanedioate
CID 57477029

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate?
The IUPAC name of [3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate (CID 139331762) is [3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate.
What is the SMILES notation for [3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate?
The canonical SMILES for [3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate is NCCc1cn(C2CCNCC2)c2ccc(OC(N)=O)cc12.
What is the InChIKey of [3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate?
The InChIKey is CABUYVRLRKMKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-6-3-11-10-20(12-4-7-19-8-5-12)15-2-1-13(9-14(11)15)22-16(18)21/h1-2,9-10,12,19H,3-8,17H2,(H2,18,21).
What are the key properties of [3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate?
[3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate has a molecular weight of 302.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate is sourced from PubChem (CID 139331762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).