1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C19H36N4O2 — CID 78881606

IUPAC1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCC1CCN(C(CNC(=O)NCCCN2CCCC2=O)C(C)C)CC1
InChIInChI=1S/C19H36N4O2/c1-15(2)17(22-12-7-16(3)8-13-22)14-21-19(25)20-9-5-11-23-10-4-6-18(23)24/h15-17H,4-14H2,1-3H3,(H2,20,21,25)
InChIKeyAIJVGSGOTFCYPV-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.05
Rot. Bonds8

About 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 78881606) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID78881606
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCC1CCN(C(CNC(=O)NCCCN2CCCC2=O)C(C)C)CC1
InChIInChI=1S/C19H36N4O2/c1-15(2)17(22-12-7-16(3)8-13-22)14-21-19(25)20-9-5-11-23-10-4-6-18(23)24/h15-17H,4-14H2,1-3H3,(H2,20,21,25)
InChIKeyAIJVGSGOTFCYPV-UHFFFAOYSA-N
XLogP2.05
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide
CID 94796136
N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111209916
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride
CID 119671605
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
2-[2-(azepan-1-yl)-3-methylbutyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111147954
N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 77089396
cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42546160
1-ethyl-2-[(4-methylcyclohexyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146447
4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119849813
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 78881606) is 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is CC1CCN(C(CNC(=O)NCCCN2CCCC2=O)C(C)C)CC1.
What is the InChIKey of 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is AIJVGSGOTFCYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-15(2)17(22-12-7-16(3)8-13-22)14-21-19(25)20-9-5-11-23-10-4-6-18(23)24/h15-17H,4-14H2,1-3H3,(H2,20,21,25).
What are the key properties of 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 352.52 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 78881606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).