1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea

C24H37N3O2 — CID 66761545

IUPAC1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea
SMILESCCc1ccc(C2CC(NC(=O)NC(C)(C)C)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C24H37N3O2/c1-5-17-10-12-18(13-11-17)20-14-21(25-23(29)26-24(2,3)4)16-27(15-20)22(28)19-8-6-7-9-19/h10-13,19-21H,5-9,14-16H2,1-4H3,(H2,25,26,29)
InChIKeyZNFJCDBBFZBHED-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.22
Rot. Bonds4

About 1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea

1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea (PubChem CID 66761545) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea
PubChem CID66761545
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea
SMILESCCc1ccc(C2CC(NC(=O)NC(C)(C)C)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C24H37N3O2/c1-5-17-10-12-18(13-11-17)20-14-21(25-23(29)26-24(2,3)4)16-27(15-20)22(28)19-8-6-7-9-19/h10-13,19-21H,5-9,14-16H2,1-4H3,(H2,25,26,29)
InChIKeyZNFJCDBBFZBHED-UHFFFAOYSA-N
XLogP4.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2R)-6-amino-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]-4-methyl-2-[[(2R)-3-phenyl-2-[[2-[[(2R)-2-phenylpropyl]amino]acetyl]amino]propanoyl]amino]pentanamide
CID 132225744
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
3-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266408
N-[2-(dimethylamino)ethyl]-3-[1-(1-methyl-3-phenylpropyl)piperidin-4-yl]propanamide
CID 23723520
2-Cyclopentyl-N-[3-(2,6-dimethyl-piperidin-1-yl)-propyl]-2-phenyl-acetamide
CID 14973192
1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782571
(3S,6S)-3-isobutyl-4-((1R,2R)-2-phenylcyclopropanecarbonyl)-6-propylpiperazin-2-one
CID 68158563
(3S,6S)-3,6-diisobutyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one
CID 68158619
2-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 6465100
Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-(phenethyl-amide)
CID 646128

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea?
The IUPAC name of 1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea (CID 66761545) is 1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea is CCc1ccc(C2CC(NC(=O)NC(C)(C)C)CN(C(=O)C3CCCC3)C2)cc1.
What is the InChIKey of 1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea?
The InChIKey is ZNFJCDBBFZBHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-5-17-10-12-18(13-11-17)20-14-21(25-23(29)26-24(2,3)4)16-27(15-20)22(28)19-8-6-7-9-19/h10-13,19-21H,5-9,14-16H2,1-4H3,(H2,25,26,29).
What are the key properties of 1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea?
1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea has a molecular weight of 399.58 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea is sourced from PubChem (CID 66761545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).