[1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

C24H28ClN3O2 — CID 90309643

IUPAC[1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)N1CCC(NC(=O)Oc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C24H28ClN3O2/c1-17(2)27-12-10-21(11-13-27)26-24(29)30-23-15-19-7-3-4-9-22(19)28(23)16-18-6-5-8-20(25)14-18/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H,26,29)
InChIKeyYAYYHQIVTDQTLG-UHFFFAOYSA-N
MW425.96 g/mol
LogP5.30
Rot. Bonds5

About [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

[1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 90309643) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
PubChem CID90309643
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name[1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)N1CCC(NC(=O)Oc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C24H28ClN3O2/c1-17(2)27-12-10-21(11-13-27)26-24(29)30-23-15-19-7-3-4-9-22(19)28(23)16-18-6-5-8-20(25)14-18/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H,26,29)
InChIKeyYAYYHQIVTDQTLG-UHFFFAOYSA-N
XLogP5.30
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate 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

CID 49787172
CID 49787172
CID 101885724
CID 101885724
CID 101885730
CID 101885730
CID 101885731
CID 101885731
CID 101885732
CID 101885732
CID 122179641
CID 122179641
CID 145954005
CID 145954005
CID 101885723
CID 101885723
CID 11190538
CID 11190538
CID 11395013
CID 11395013
CID 11442232
CID 11442232
CID 49833232
CID 49833232

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The IUPAC name of [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (CID 90309643) is [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is CC(C)N1CCC(NC(=O)Oc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The InChIKey is YAYYHQIVTDQTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-17(2)27-12-10-21(11-13-27)26-24(29)30-23-15-19-7-3-4-9-22(19)28(23)16-18-6-5-8-20(25)14-18/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H,26,29).
What are the key properties of [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
[1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate has a molecular weight of 425.96 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 90309643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).