1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one

C12H21N3O — CID 166452879

IUPAC1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
SMILESCN1C(=O)N(C2CCCNC2)C2CCCC21
InChIInChI=1S/C12H21N3O/c1-14-10-5-2-6-11(10)15(12(14)16)9-4-3-7-13-8-9/h9-11,13H,2-8H2,1H3
InChIKeyRHMLLWQEQIZEJY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.03
Rot. Bonds1

About 1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one

1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one (PubChem CID 166452879) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
PubChem CID166452879
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
SMILESCN1C(=O)N(C2CCCNC2)C2CCCC21
InChIInChI=1S/C12H21N3O/c1-14-10-5-2-6-11(10)15(12(14)16)9-4-3-7-13-8-9/h9-11,13H,2-8H2,1H3
InChIKeyRHMLLWQEQIZEJY-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,7aS)-1-cyclopentyl-3-methyl-3a,4,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;hydrochloride
CID 118994249
1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride
CID 175684354
4-ethyl-3-methyl-1-piperidin-3-ylimidazolidin-2-one
CID 116981743
1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 118115291
1-piperidin-3-ylpiperidin-3-one
CID 90737318
1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296
1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 162422983
3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
CID 129450905
(1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 75360754
9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 78149814
1-[(3R)-piperidin-3-yl]-3-propan-2-yl-1,3-diazinan-2-one
CID 125041151
3-methyl-1-piperidin-3-ylpyrrole-2,5-dione
CID 63318859

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one?
The IUPAC name of 1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one (CID 166452879) is 1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one?
The canonical SMILES for 1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one is CN1C(=O)N(C2CCCNC2)C2CCCC21.
What is the InChIKey of 1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one?
The InChIKey is RHMLLWQEQIZEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-10-5-2-6-11(10)15(12(14)16)9-4-3-7-13-8-9/h9-11,13H,2-8H2,1H3.
What are the key properties of 1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one?
1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one is sourced from PubChem (CID 166452879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).