(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

C18H25N3O — CID 46222885

IUPAC(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C1N(C2CCN(Cc3ccccc3)CC2)C[C@@H]2CCCN12
InChIInChI=1S/C18H25N3O/c22-18-20-10-4-7-17(20)14-21(18)16-8-11-19(12-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2/t17-/m0/s1
InChIKeyQBYDDWVSUKGRHR-KRWDZBQOSA-N
MW299.42 g/mol
LogP2.55
Rot. Bonds3

About (7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 46222885) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID46222885
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C1N(C2CCN(Cc3ccccc3)CC2)C[C@@H]2CCCN12
InChIInChI=1S/C18H25N3O/c22-18-20-10-4-7-17(20)14-21(18)16-8-11-19(12-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2/t17-/m0/s1
InChIKeyQBYDDWVSUKGRHR-KRWDZBQOSA-N
XLogP2.55
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
CID 21430540
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712027
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one
CID 64590686
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
1-(1-benzylpyrrolidin-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168707846
3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
CID 143494207
1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine
CID 141068569
1-[(3R)-1-benzylpiperidin-3-yl]-4-(bromomethyl)pyrrolidin-2-one
CID 168503517
6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50952033
1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one
CID 11718536

Frequently Asked Questions

What is the IUPAC name of (7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of (7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (CID 46222885) is (7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for (7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for (7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is O=C1N(C2CCN(Cc3ccccc3)CC2)C[C@@H]2CCCN12.
What is the InChIKey of (7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is QBYDDWVSUKGRHR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O/c22-18-20-10-4-7-17(20)14-21(18)16-8-11-19(12-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2/t17-/m0/s1.
What are the key properties of (7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 299.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 46222885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).