(5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one

C14H21N3O — CID 143414078

IUPAC(5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one
SMILESO=C1NC[C@@H](C2=CC=CCC2)N1C1CCNCC1
InChIInChI=1S/C14H21N3O/c18-14-16-10-13(11-4-2-1-3-5-11)17(14)12-6-8-15-9-7-12/h1-2,4,12-13,15H,3,5-10H2,(H,16,18)/t13-/m0/s1
InChIKeyFUUHNUKHRDNTIE-ZDUSSCGKSA-N
MW247.34 g/mol
LogP1.41
Rot. Bonds2

About (5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one

(5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one (PubChem CID 143414078) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one
PubChem CID143414078
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one
SMILESO=C1NC[C@@H](C2=CC=CCC2)N1C1CCNCC1
InChIInChI=1S/C14H21N3O/c18-14-16-10-13(11-4-2-1-3-5-11)17(14)12-6-8-15-9-7-12/h1-2,4,12-13,15H,3,5-10H2,(H,16,18)/t13-/m0/s1
InChIKeyFUUHNUKHRDNTIE-ZDUSSCGKSA-N
XLogP1.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 156036028
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(3R,4aR)-3-cyclohexa-1,3-dien-1-yl-3,4,4a,5,6,7-hexahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
CID 137295451
3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one
CID 20187425
3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one
CID 67763170
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CID 69172167
(10bR)-3,3a,4,5,7,10b-hexahydro-1H-imidazo[4,5-a]quinolizin-2-one
CID 70430174
3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-1,3-benzodiazepin-2-one
CID 71045366
5-methylidene-1-piperidin-4-yl-3H-cyclohepta[d]imidazol-2-one
CID 89199682
Tert-butyl 4-(4-cyclohexa-1,3-dien-1-ylimidazolidin-1-yl)piperidine-1-carboxylate
CID 118297218
4-(Cyclohexa-1,3-dien-1-ylmethyl)-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one
CID 122605908
3-Cyclohexyl-1-ethyl-1-[1-(2-ethylidenehex-3-enyl)pyrrolidin-3-yl]urea
CID 123514093

Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of (5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one (CID 143414078) is (5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for (5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for (5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one is O=C1NC[C@@H](C2=CC=CCC2)N1C1CCNCC1.
What is the InChIKey of (5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one?
The InChIKey is FUUHNUKHRDNTIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14-16-10-13(11-4-2-1-3-5-11)17(14)12-6-8-15-9-7-12/h1-2,4,12-13,15H,3,5-10H2,(H,16,18)/t13-/m0/s1.
What are the key properties of (5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one?
(5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclohexa-1,3-dien-1-yl-1-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 143414078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).