1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea

C18H24N4O2 — CID 166262731

IUPAC1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea
SMILESCc1[nH]c2ccccc2c1CCNC(=O)NC1CCC(C)NC1=O
InChIInChI=1S/C18H24N4O2/c1-11-7-8-16(17(23)20-11)22-18(24)19-10-9-13-12(2)21-15-6-4-3-5-14(13)15/h3-6,11,16,21H,7-10H2,1-2H3,(H,20,23)(H2,19,22,24)
InChIKeyRYHSGVVRFKXWTA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea

1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea (PubChem CID 166262731) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea
PubChem CID166262731
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea
SMILESCc1[nH]c2ccccc2c1CCNC(=O)NC1CCC(C)NC1=O
InChIInChI=1S/C18H24N4O2/c1-11-7-8-16(17(23)20-11)22-18(24)19-10-9-13-12(2)21-15-6-4-3-5-14(13)15/h3-6,11,16,21H,7-10H2,1-2H3,(H,20,23)(H2,19,22,24)
InChIKeyRYHSGVVRFKXWTA-UHFFFAOYSA-N
XLogP1.99
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 99833373
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 111505791
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
6-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3273445
(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 95141300
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea?
The IUPAC name of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea (CID 166262731) is 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea is Cc1[nH]c2ccccc2c1CCNC(=O)NC1CCC(C)NC1=O.
What is the InChIKey of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea?
The InChIKey is RYHSGVVRFKXWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11-7-8-16(17(23)20-11)22-18(24)19-10-9-13-12(2)21-15-6-4-3-5-14(13)15/h3-6,11,16,21H,7-10H2,1-2H3,(H,20,23)(H2,19,22,24).
What are the key properties of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea?
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea has a molecular weight of 328.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea is sourced from PubChem (CID 166262731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).