[1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea

C14H26N4O2 — CID 71861034

IUPAC[1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(CCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H26N4O2/c15-14(20)16-12-4-9-17(10-5-12)11-6-13(19)18-7-2-1-3-8-18/h12H,1-11H2,(H3,15,16,20)
InChIKeyCQJOTEJVDVVHEC-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.52
Rot. Bonds4

About [1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea

[1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea (PubChem CID 71861034) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea
PubChem CID71861034
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name[1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(CCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H26N4O2/c15-14(20)16-12-4-9-17(10-5-12)11-6-13(19)18-7-2-1-3-8-18/h12H,1-11H2,(H3,15,16,20)
InChIKeyCQJOTEJVDVVHEC-UHFFFAOYSA-N
XLogP0.52
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
CID 120981215
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
CID 94103625
1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 115600945
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180
3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
CID 60601131
3-(azocan-1-yl)-1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
CID 46998378
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695761
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273

Frequently Asked Questions

What is the IUPAC name of [1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea?
The IUPAC name of [1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea (CID 71861034) is [1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea.
What is the SMILES notation for [1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea?
The canonical SMILES for [1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea is NC(=O)NC1CCN(CCC(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea?
The InChIKey is CQJOTEJVDVVHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c15-14(20)16-12-4-9-17(10-5-12)11-6-13(19)18-7-2-1-3-8-18/h12H,1-11H2,(H3,15,16,20).
What are the key properties of [1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea?
[1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea has a molecular weight of 282.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea is sourced from PubChem (CID 71861034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).