1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

C20H32N4O — CID 84599314

IUPAC1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NC(C)C1CCCN(C2CCC2)C1
InChIInChI=1S/C20H32N4O/c1-15-13-21-10-8-17(15)9-11-22-20(25)23-16(2)18-5-4-12-24(14-18)19-6-3-7-19/h8,10,13,16,18-19H,3-7,9,11-12,14H2,1-2H3,(H2,22,23,25)
InChIKeyGIYAOVZRINYMLA-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.88
Rot. Bonds6

About 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (PubChem CID 84599314) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
PubChem CID84599314
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NC(C)C1CCCN(C2CCC2)C1
InChIInChI=1S/C20H32N4O/c1-15-13-21-10-8-17(15)9-11-22-20(25)23-16(2)18-5-4-12-24(14-18)19-6-3-7-19/h8,10,13,16,18-19H,3-7,9,11-12,14H2,1-2H3,(H2,22,23,25)
InChIKeyGIYAOVZRINYMLA-UHFFFAOYSA-N
XLogP2.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea with MolForge

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Related Compounds

1-(2-(1-Adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea
CID 10158562
1-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
1-Cyclohexyl-3-(3-pyridylmethyl)urea
CID 650313
1-Phenyl-3-(3-pyridylmethyl)urea
CID 853670
N-(tert-butyl)-N'-(3-pyridylmethyl)urea
CID 290474
1-(4-Methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4677493
1-Phenyl-3-(pyridin-4-ylmethyl)urea
CID 306456
1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)
CID 3099034
N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide
CID 56672789
1-(2-Ethylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4463258
1-[4-(Propan-2-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 6470487
1-(4-Ethylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 24818651

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (CID 84599314) is 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is Cc1cnccc1CCNC(=O)NC(C)C1CCCN(C2CCC2)C1.
What is the InChIKey of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The InChIKey is GIYAOVZRINYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-15-13-21-10-8-17(15)9-11-22-20(25)23-16(2)18-5-4-12-24(14-18)19-6-3-7-19/h8,10,13,16,18-19H,3-7,9,11-12,14H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea has a molecular weight of 344.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 84599314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).