tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate

C19H26ClN3O2 — CID 130338409

IUPACtert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(C(=O)OC(C)(C)C)c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C19H26ClN3O2/c1-19(2,3)25-18(24)23(14-6-9-22(4)10-7-14)17-12-13(20)11-16-15(17)5-8-21-16/h5,8,11-12,14,21H,6-7,9-10H2,1-4H3
InChIKeyYKOOELJUFPXHPG-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.66
Rot. Bonds2

About tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate

tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 130338409) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate
PubChem CID130338409
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Nametert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(C(=O)OC(C)(C)C)c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C19H26ClN3O2/c1-19(2,3)25-18(24)23(14-6-9-22(4)10-7-14)17-12-13(20)11-16-15(17)5-8-21-16/h5,8,11-12,14,21H,6-7,9-10H2,1-4H3
InChIKeyYKOOELJUFPXHPG-UHFFFAOYSA-N
XLogP4.66
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(5-(pyrrolidin-1-yl)pentan-2-yl)quinolin-4-amine
CID 220624
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1-{2-[4-(6-Chloro-1H-indol-3-yl)-piperidin-1-yl]-ethyl}-3-isopropyl-imidazolidin-2-one
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4-(4-chlorophenyl)-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one
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4-N-(7-chloroquinolin-5-yl)-1-N,1-N-diethylpentane-1,4-diamine
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1-[(4-chlorophenyl)methyl]-3-1H-indol-4-ylurea
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3-[(4-chlorophenyl)methyl]-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
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tert-butyl N-[2-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propylamino]-2-oxoethyl]carbamate
CID 11135091
N-(5-Chloro-2-methylphenyl)-N'-[2-(2,3-dihydro-1H-indol-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017425
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide
CID 42743622
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate (CID 130338409) is tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate is CN1CCC(N(C(=O)OC(C)(C)C)c2cc(Cl)cc3[nH]ccc23)CC1.
What is the InChIKey of tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is YKOOELJUFPXHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-19(2,3)25-18(24)23(14-6-9-22(4)10-7-14)17-12-13(20)11-16-15(17)5-8-21-16/h5,8,11-12,14,21H,6-7,9-10H2,1-4H3.
What are the key properties of tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate?
tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 363.89 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloro-1H-indol-4-yl)-N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 130338409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).