1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea

C25H34N4O3 — CID 51696842

IUPAC1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea
SMILESCOc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC
InChIInChI=1S/C25H34N4O3/c1-28-14-11-19-15-18(7-9-21(19)28)22(29-12-5-4-6-13-29)17-26-25(30)27-20-8-10-23(31-2)24(16-20)32-3/h7-10,15-16,22H,4-6,11-14,17H2,1-3H3,(H2,26,27,30)/t22-/m0/s1
InChIKeyAUOJSKGOSDZAPM-QFIPXVFZSA-N
MW438.57 g/mol
LogP4.04
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea

1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea (PubChem CID 51696842) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea
PubChem CID51696842
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea
SMILESCOc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC
InChIInChI=1S/C25H34N4O3/c1-28-14-11-19-15-18(7-9-21(19)28)22(29-12-5-4-6-13-29)17-26-25(30)27-20-8-10-23(31-2)24(16-20)32-3/h7-10,15-16,22H,4-6,11-14,17H2,1-3H3,(H2,26,27,30)/t22-/m0/s1
InChIKeyAUOJSKGOSDZAPM-QFIPXVFZSA-N
XLogP4.04
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxyphenyl)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]oxamide
CID 16802045
1-(4-fluorophenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 51696860
1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea
CID 51696853
3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40890098
3,4-dimethoxy-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 40828884
N'-(3-acetamidophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]oxamide
CID 51641005
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N'-phenyloxamide
CID 51449135
N'-(2-methoxyphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40955890
N'-(3-methoxyphenyl)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949298
N'-(2-methoxy-5-methylphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 41234158
N'-(3-methoxyphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949294
N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40890602

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea (CID 51696842) is 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea is COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea?
The InChIKey is AUOJSKGOSDZAPM-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-28-14-11-19-15-18(7-9-21(19)28)22(29-12-5-4-6-13-29)17-26-25(30)27-20-8-10-23(31-2)24(16-20)32-3/h7-10,15-16,22H,4-6,11-14,17H2,1-3H3,(H2,26,27,30)/t22-/m0/s1.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea has a molecular weight of 438.57 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea is sourced from PubChem (CID 51696842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).