1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea

C20H30N4O2 — CID 1054400

IUPAC1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C20H30N4O2/c1-3-21-20(26)22-16-6-7-18(23-12-8-15(2)9-13-23)17(14-16)19(25)24-10-4-5-11-24/h6-7,14-15H,3-5,8-13H2,1-2H3,(H2,21,22,26)
InChIKeyAIYHHUQNMAXJSR-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.30
Rot. Bonds4

About 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea

1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 1054400) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID1054400
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C20H30N4O2/c1-3-21-20(26)22-16-6-7-18(23-12-8-15(2)9-13-23)17(14-16)19(25)24-10-4-5-11-24/h6-7,14-15H,3-5,8-13H2,1-2H3,(H2,21,22,26)
InChIKeyAIYHHUQNMAXJSR-UHFFFAOYSA-N
XLogP3.30
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42751588
1,1-dimethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054086
1-(2,6-dichlorophenyl)-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054434
1-(3-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054408
2,2-dichloro-N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1054041
N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
1-butyl-3-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 42751582
diethyl-[2-[[5-(ethylcarbamoylamino)-2-(4-methylpiperidin-1-yl)benzoyl]amino]ethyl]azanium
CID 7230433
4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 4018717
N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide
CID 1054058
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]urea
CID 5205098
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea (CID 1054400) is 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea is CCNC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N2CCCC2)c1.
What is the InChIKey of 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is AIYHHUQNMAXJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-21-20(26)22-16-6-7-18(23-12-8-15(2)9-13-23)17(14-16)19(25)24-10-4-5-11-24/h6-7,14-15H,3-5,8-13H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea?
1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 358.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 1054400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).