4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide

C24H30N4O2 — CID 56527612

IUPAC4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc4c(ccn4CC(C)C)c3)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-18(2)17-28-11-10-19-16-20(4-9-23(19)28)25-24(29)27-14-12-26(13-15-27)21-5-7-22(30-3)8-6-21/h4-11,16,18H,12-15,17H2,1-3H3,(H,25,29)
InChIKeyASPSDVVCIPKAPU-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.66
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide

4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide (PubChem CID 56527612) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide
PubChem CID56527612
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc4c(ccn4CC(C)C)c3)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-18(2)17-28-11-10-19-16-20(4-9-23(19)28)25-24(29)27-14-12-26(13-15-27)21-5-7-22(30-3)8-6-21/h4-11,16,18H,12-15,17H2,1-3H3,(H,25,29)
InChIKeyASPSDVVCIPKAPU-UHFFFAOYSA-N
XLogP4.66
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
ethyl 5-[[4-(4-methoxyphenyl)piperazine-1-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 55740991

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide (CID 56527612) is 4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3ccc4c(ccn4CC(C)C)c3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide?
The InChIKey is ASPSDVVCIPKAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18(2)17-28-11-10-19-16-20(4-9-23(19)28)25-24(29)27-14-12-26(13-15-27)21-5-7-22(30-3)8-6-21/h4-11,16,18H,12-15,17H2,1-3H3,(H,25,29).
What are the key properties of 4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide?
4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide is sourced from PubChem (CID 56527612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).