4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one

C15H19N3O — CID 117396815

IUPAC4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(-c2cccc(CC3CCNCC3)c2)[nH]1
InChIInChI=1S/C15H19N3O/c19-15-17-10-14(18-15)13-3-1-2-12(9-13)8-11-4-6-16-7-5-11/h1-3,9-11,16H,4-8H2,(H2,17,18,19)
InChIKeyNWEXOXSHPLQVIY-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.91
Rot. Bonds3

About 4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one

4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one (PubChem CID 117396815) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one
PubChem CID117396815
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(-c2cccc(CC3CCNCC3)c2)[nH]1
InChIInChI=1S/C15H19N3O/c19-15-17-10-14(18-15)13-3-1-2-12(9-13)8-11-4-6-16-7-5-11/h1-3,9-11,16H,4-8H2,(H2,17,18,19)
InChIKeyNWEXOXSHPLQVIY-UHFFFAOYSA-N
XLogP1.91
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-4-ylmethyl)phenol
CID 83261812
4-[(3-methylsulfonylphenyl)methyl]piperidine
CID 84804489
2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117363161
1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one
CID 117436479
[4-methoxy-3-[3-(piperidin-4-ylmethyl)phenyl]phenyl]methylurea
CID 143846341
5-(piperidin-4-ylmethyl)-2H-benzotriazole
CID 84784846
4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine
CID 117117828
3-(azepan-4-ylmethyl)-N,N-dimethylaniline
CID 84696125
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
4-(1-hydroxy-2-piperidin-4-ylethyl)-1,3-dihydroimidazol-2-one
CID 84734577
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
2-amino-4-(piperidin-4-ylmethyl)phenol
CID 117117856

Frequently Asked Questions

What is the IUPAC name of 4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one (CID 117396815) is 4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one is O=c1[nH]cc(-c2cccc(CC3CCNCC3)c2)[nH]1.
What is the InChIKey of 4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one?
The InChIKey is NWEXOXSHPLQVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15-17-10-14(18-15)13-3-1-2-12(9-13)8-11-4-6-16-7-5-11/h1-3,9-11,16H,4-8H2,(H2,17,18,19).
What are the key properties of 4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one?
4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(piperidin-4-ylmethyl)phenyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 117396815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).