3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one

C12H21N3O — CID 120857361

IUPAC3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one
SMILESO=C1CN(CC2CCCNC2)CN1C1CC1
InChIInChI=1S/C12H21N3O/c16-12-8-14(9-15(12)11-3-4-11)7-10-2-1-5-13-6-10/h10-11,13H,1-9H2
InChIKeyXVLLHMQFEGXJFW-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.25
Rot. Bonds3

About 3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one

3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one (PubChem CID 120857361) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one
PubChem CID120857361
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one
SMILESO=C1CN(CC2CCCNC2)CN1C1CC1
InChIInChI=1S/C12H21N3O/c16-12-8-14(9-15(12)11-3-4-11)7-10-2-1-5-13-6-10/h10-11,13H,1-9H2
InChIKeyXVLLHMQFEGXJFW-UHFFFAOYSA-N
XLogP0.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
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1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105481028
1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one
CID 63004638
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
CID 127007478
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105450979

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of 3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one (CID 120857361) is 3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one is O=C1CN(CC2CCCNC2)CN1C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one?
The InChIKey is XVLLHMQFEGXJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-12-8-14(9-15(12)11-3-4-11)7-10-2-1-5-13-6-10/h10-11,13H,1-9H2.
What are the key properties of 3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one?
3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one has a molecular weight of 223.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 120857361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).