2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate

C22H33N3O2 — CID 140563236

IUPAC2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate
SMILESCCCN1CCC(C2CCN(C(=O)OC3CNc4ccccc43)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-2-11-24-12-7-17(8-13-24)18-9-14-25(15-10-18)22(26)27-21-16-23-20-6-4-3-5-19(20)21/h3-6,17-18,21,23H,2,7-16H2,1H3
InChIKeyGQXDEAOBEYPRJF-UHFFFAOYSA-N
MW371.52 g/mol
LogP4.12
Rot. Bonds4

About 2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate

2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate (PubChem CID 140563236) has the molecular formula C22H33N3O2 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate
PubChem CID140563236
Molecular FormulaC22H33N3O2
Molecular Weight371.52 g/mol
Exact Mass371.26
IUPAC Name2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate
SMILESCCCN1CCC(C2CCN(C(=O)OC3CNc4ccccc43)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-2-11-24-12-7-17(8-13-24)18-9-14-25(15-10-18)22(26)27-21-16-23-20-6-4-3-5-19(20)21/h3-6,17-18,21,23H,2,7-16H2,1H3
InChIKeyGQXDEAOBEYPRJF-UHFFFAOYSA-N
XLogP4.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 14931742
3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole
CID 141196849
1,2,3,4-tetrahydroquinolin-4-yl propanoate
CID 70393820
2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
CID 80563499
3-hydroperoxy-2,3-dihydro-1H-indole
CID 119084044
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260455
1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 21135993
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565293
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217204
3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106901956
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate (CID 140563236) is 2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate is CCCN1CCC(C2CCN(C(=O)OC3CNc4ccccc43)CC2)CC1.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate?
The InChIKey is GQXDEAOBEYPRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-11-24-12-7-17(8-13-24)18-9-14-25(15-10-18)22(26)27-21-16-23-20-6-4-3-5-19(20)21/h3-6,17-18,21,23H,2,7-16H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate?
2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate has a molecular weight of 371.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 140563236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).