1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one

C13H20N4O — CID 116979163

IUPAC1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESO=C1NC(c2ccc[nH]2)CN1CC1CCCNC1
InChIInChI=1S/C13H20N4O/c18-13-16-12(11-4-2-6-15-11)9-17(13)8-10-3-1-5-14-7-10/h2,4,6,10,12,14-15H,1,3,5,7-9H2,(H,16,18)
InChIKeyVYMMDOBGLNDAKT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.08
Rot. Bonds3

About 1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one

1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one (PubChem CID 116979163) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
PubChem CID116979163
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESO=C1NC(c2ccc[nH]2)CN1CC1CCCNC1
InChIInChI=1S/C13H20N4O/c18-13-16-12(11-4-2-6-15-11)9-17(13)8-10-3-1-5-14-7-10/h2,4,6,10,12,14-15H,1,3,5,7-9H2,(H,16,18)
InChIKeyVYMMDOBGLNDAKT-UHFFFAOYSA-N
XLogP1.08
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116981847
4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116979173
1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979012
4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
CID 116979116
1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116980633
3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
CID 97169092
3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine
CID 116871119
2-(piperidin-3-ylmethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525998
4-(hydroxymethyl)-1-(piperidin-3-ylmethyl)pyrrolidin-2-one
CID 168661808
4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116981844
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one (CID 116979163) is 1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one is O=C1NC(c2ccc[nH]2)CN1CC1CCCNC1.
What is the InChIKey of 1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The InChIKey is VYMMDOBGLNDAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13-16-12(11-4-2-6-15-11)9-17(13)8-10-3-1-5-14-7-10/h2,4,6,10,12,14-15H,1,3,5,7-9H2,(H,16,18).
What are the key properties of 1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116979163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).