1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea

C21H26N4O2 — CID 155949521

IUPAC1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NCC(=O)N1CCCCC1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H26N4O2/c1-16(17-5-7-18(8-6-17)19-9-11-22-12-10-19)24-21(27)23-15-20(26)25-13-3-2-4-14-25/h5-12,16H,2-4,13-15H2,1H3,(H2,23,24,27)
InChIKeyVTDYGBCVBXSGND-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.12
Rot. Bonds5

About 1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea

1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea (PubChem CID 155949521) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea
PubChem CID155949521
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NCC(=O)N1CCCCC1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H26N4O2/c1-16(17-5-7-18(8-6-17)19-9-11-22-12-10-19)24-21(27)23-15-20(26)25-13-3-2-4-14-25/h5-12,16H,2-4,13-15H2,1H3,(H2,23,24,27)
InChIKeyVTDYGBCVBXSGND-UHFFFAOYSA-N
XLogP3.12
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 120704833
1-(3-hydroxy-4-methylpentyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea
CID 111542837
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
1-(2,2-dimethylpropyl)-3-(1-pyridin-4-ylethyl)urea
CID 110748297
2-oxo-2-(4-prop-2-enyl-1,4-diazepan-1-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 167983630
2-[[2-(azepan-1-yl)-2-oxoethyl]carbamoylamino]propanoic acid
CID 43823825
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
CID 78775763
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea?
The IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea (CID 155949521) is 1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea is CC(NC(=O)NCC(=O)N1CCCCC1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea?
The InChIKey is VTDYGBCVBXSGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16(17-5-7-18(8-6-17)19-9-11-22-12-10-19)24-21(27)23-15-20(26)25-13-3-2-4-14-25/h5-12,16H,2-4,13-15H2,1H3,(H2,23,24,27).
What are the key properties of 1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea?
1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea has a molecular weight of 366.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperidin-1-ylethyl)-3-[1-(4-pyridin-4-ylphenyl)ethyl]urea is sourced from PubChem (CID 155949521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).