methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate

C18H25N3O2 — CID 22909425

IUPACmethyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCN(CCCN)CC3)c[nH]c2c1
InChIInChI=1S/C18H25N3O2/c1-23-18(22)14-3-4-15-16(12-20-17(15)11-14)13-5-9-21(10-6-13)8-2-7-19/h3-4,11-13,20H,2,5-10,19H2,1H3
InChIKeySOHLUTYYXNHJSH-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.48
Rot. Bonds5

About methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate

methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate (PubChem CID 22909425) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate
PubChem CID22909425
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Namemethyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCN(CCCN)CC3)c[nH]c2c1
InChIInChI=1S/C18H25N3O2/c1-23-18(22)14-3-4-15-16(12-20-17(15)11-14)13-5-9-21(10-6-13)8-2-7-19/h3-4,11-13,20H,2,5-10,19H2,1H3
InChIKeySOHLUTYYXNHJSH-UHFFFAOYSA-N
XLogP2.48
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234
6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole
CID 18323647
2-methoxyethyl 3-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]benzoate
CID 11338840
N-[3-[4-(6-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide
CID 22909402
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperidin-4-yl]-1H-indole-6-carboxamide
CID 22909472
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
methyl 3-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1H-indole-6-carboxylate
CID 138974121

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate (CID 22909425) is methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate is COC(=O)c1ccc2c(C3CCN(CCCN)CC3)c[nH]c2c1.
What is the InChIKey of methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate?
The InChIKey is SOHLUTYYXNHJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-23-18(22)14-3-4-15-16(12-20-17(15)11-14)13-5-9-21(10-6-13)8-2-7-19/h3-4,11-13,20H,2,5-10,19H2,1H3.
What are the key properties of methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate?
methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate is sourced from PubChem (CID 22909425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).