[1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate

C18H24ClN3O2 — CID 166380330

IUPAC[1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC1CCCCN1Cc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H24ClN3O2/c1-21(2)18(23)24-12-16-5-3-4-8-22(16)11-15-10-13-9-14(19)6-7-17(13)20-15/h6-7,9-10,16,20H,3-5,8,11-12H2,1-2H3
InChIKeyGJOLWGMKMJTPLR-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.87
Rot. Bonds4

About [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate

[1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate (PubChem CID 166380330) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate
PubChem CID166380330
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name[1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC1CCCCN1Cc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H24ClN3O2/c1-21(2)18(23)24-12-16-5-3-4-8-22(16)11-15-10-13-9-14(19)6-7-17(13)20-15/h6-7,9-10,16,20H,3-5,8,11-12H2,1-2H3
InChIKeyGJOLWGMKMJTPLR-UHFFFAOYSA-N
XLogP3.87
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 46224838
1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
CID 29133832
methyl [(5-chloro-1H-indol-2-yl)methyl]carbamate
CID 1245948
methyl 4-{[(6-chloro-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)carbonyl]amino}butanoate
CID 17594891
2-[(1R,3R)-1-(4-chlorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
CID 122192183
6-chloro-1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 168274627
6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 168279806
6-chloro-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 168280141
ethyl 4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 4902674
US11142526, Example 48
CID 137533061
US11142526, Example 224
CID 137533215
9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-chloro-3-methyl-
CID 99060

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate?
The IUPAC name of [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate (CID 166380330) is [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate is CN(C)C(=O)OCC1CCCCN1Cc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate?
The InChIKey is GJOLWGMKMJTPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-21(2)18(23)24-12-16-5-3-4-8-22(16)11-15-10-13-9-14(19)6-7-17(13)20-15/h6-7,9-10,16,20H,3-5,8,11-12H2,1-2H3.
What are the key properties of [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate?
[1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate has a molecular weight of 349.86 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 166380330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).