[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

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Related Compounds

[1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309362
1-[(3,5-dichlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801035
[1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309578
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801220
1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide
CID 51204188
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434
tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate
CID 86628722
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309447
1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801030

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).