(2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate

C15H18IN3O2 — CID 130337842

IUPAC(2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(NC(=O)Oc2cccc3[nH]c(I)cc23)CC1
InChIInChI=1S/C15H18IN3O2/c1-19-7-5-10(6-8-19)17-15(20)21-13-4-2-3-12-11(13)9-14(16)18-12/h2-4,9-10,18H,5-8H2,1H3,(H,17,20)
InChIKeyMXDHFINCTSMJMX-UHFFFAOYSA-N
MW399.23 g/mol
LogP2.96
Rot. Bonds2

About (2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate

(2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 130337842) has the molecular formula C15H18IN3O2 and a molecular weight of 399.23 g/mol. Its IUPAC name is (2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name(2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate
PubChem CID130337842
Molecular FormulaC15H18IN3O2
Molecular Weight399.23 g/mol
Exact Mass399.04
IUPAC Name(2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(NC(=O)Oc2cccc3[nH]c(I)cc23)CC1
InChIInChI=1S/C15H18IN3O2/c1-19-7-5-10(6-8-19)17-15(20)21-13-4-2-3-12-11(13)9-14(16)18-12/h2-4,9-10,18H,5-8H2,1H3,(H,17,20)
InChIKeyMXDHFINCTSMJMX-UHFFFAOYSA-N
XLogP2.96
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate
CID 69030839
[4-(4-fluorophenoxy)-1H-indol-2-yl] N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate
CID 69028939
(1-phenylisoquinolin-4-yl) N-(1-methylpiperidin-4-yl)carbamate
CID 70442897
[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-4-yl] N-(1-methylpiperidin-4-yl)carbamate
CID 137066588
[4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 69032117
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide
CID 11442047
[4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate
CID 69028140
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 59600126
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate
CID 67753153
2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide
CID 163300252

Frequently Asked Questions

What is the IUPAC name of (2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of (2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate (CID 130337842) is (2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for (2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for (2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate is CN1CCC(NC(=O)Oc2cccc3[nH]c(I)cc23)CC1.
What is the InChIKey of (2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is MXDHFINCTSMJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O2/c1-19-7-5-10(6-8-19)17-15(20)21-13-4-2-3-12-11(13)9-14(16)18-12/h2-4,9-10,18H,5-8H2,1H3,(H,17,20).
What are the key properties of (2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate?
(2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 399.23 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 130337842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).