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

C12H18N4O — CID 116979012

IUPAC1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESO=C1NC(c2ccc[nH]2)CN1C1CCCNC1
InChIInChI=1S/C12H18N4O/c17-12-15-11(10-4-2-6-14-10)8-16(12)9-3-1-5-13-7-9/h2,4,6,9,11,13-14H,1,3,5,7-8H2,(H,15,17)
InChIKeyCKWUNJDRNFRMLY-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.83
Rot. Bonds2

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

1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one (PubChem CID 116979012) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
PubChem CID116979012
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESO=C1NC(c2ccc[nH]2)CN1C1CCCNC1
InChIInChI=1S/C12H18N4O/c17-12-15-11(10-4-2-6-14-10)8-16(12)9-3-1-5-13-7-9/h2,4,6,9,11,13-14H,1,3,5,7-8H2,(H,15,17)
InChIKeyCKWUNJDRNFRMLY-UHFFFAOYSA-N
XLogP0.83
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The IUPAC name of 1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one (CID 116979012) is 1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one is O=C1NC(c2ccc[nH]2)CN1C1CCCNC1.
What is the InChIKey of 1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The InChIKey is CKWUNJDRNFRMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12-15-11(10-4-2-6-14-10)8-16(12)9-3-1-5-13-7-9/h2,4,6,9,11,13-14H,1,3,5,7-8H2,(H,15,17).
What are the key properties of 1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116979012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).