1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea

C27H36N4O — CID 174394537

IUPAC1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
SMILESCCCCCN1CCC(c2c[nH]c3ccc(N(CC)C(=O)Nc4ccccc4)cc23)CC1
InChIInChI=1S/C27H36N4O/c1-3-5-9-16-30-17-14-21(15-18-30)25-20-28-26-13-12-23(19-24(25)26)31(4-2)27(32)29-22-10-7-6-8-11-22/h6-8,10-13,19-21,28H,3-5,9,14-18H2,1-2H3,(H,29,32)
InChIKeyGEGMNCFCUWFXFJ-UHFFFAOYSA-N
MW432.61 g/mol
LogP6.60
Rot. Bonds8

About 1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea

1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea (PubChem CID 174394537) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
PubChem CID174394537
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
SMILESCCCCCN1CCC(c2c[nH]c3ccc(N(CC)C(=O)Nc4ccccc4)cc23)CC1
InChIInChI=1S/C27H36N4O/c1-3-5-9-16-30-17-14-21(15-18-30)25-20-28-26-13-12-23(19-24(25)26)31(4-2)27(32)29-22-10-7-6-8-11-22/h6-8,10-13,19-21,28H,3-5,9,14-18H2,1-2H3,(H,29,32)
InChIKeyGEGMNCFCUWFXFJ-UHFFFAOYSA-N
XLogP6.60
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide
CID 57299870
1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174406878
N-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-2-(diethylamino)-N-propylbenzamide
CID 54404500
1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea
CID 54233001
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea
CID 57267477
1-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-indol-5-yl]-1,3-diphenylurea
CID 67669036
[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]-[2-(trifluoromethyl)phenyl]methanone;chloro benzoate
CID 162540763
1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409
4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 142627288
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide
CID 18969225

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea?
The IUPAC name of 1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea (CID 174394537) is 1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea.
What is the SMILES notation for 1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea?
The canonical SMILES for 1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea is CCCCCN1CCC(c2c[nH]c3ccc(N(CC)C(=O)Nc4ccccc4)cc23)CC1.
What is the InChIKey of 1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea?
The InChIKey is GEGMNCFCUWFXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-3-5-9-16-30-17-14-21(15-18-30)25-20-28-26-13-12-23(19-24(25)26)31(4-2)27(32)29-22-10-7-6-8-11-22/h6-8,10-13,19-21,28H,3-5,9,14-18H2,1-2H3,(H,29,32).
What are the key properties of 1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea?
1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea has a molecular weight of 432.61 g/mol, XLogP of 6.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea is sourced from PubChem (CID 174394537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).