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

C14H22N4O — CID 116981847

IUPAC3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESCN1C(=O)N(CC2CCCNC2)CC1c1ccc[nH]1
InChIInChI=1S/C14H22N4O/c1-17-13(12-5-3-7-16-12)10-18(14(17)19)9-11-4-2-6-15-8-11/h3,5,7,11,13,15-16H,2,4,6,8-10H2,1H3
InChIKeyYOELPTIFAUQTQD-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.42
Rot. Bonds3

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

3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one (PubChem CID 116981847) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
PubChem CID116981847
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESCN1C(=O)N(CC2CCCNC2)CC1c1ccc[nH]1
InChIInChI=1S/C14H22N4O/c1-17-13(12-5-3-7-16-12)10-18(14(17)19)9-11-4-2-6-15-8-11/h3,5,7,11,13,15-16H,2,4,6,8-10H2,1H3
InChIKeyYOELPTIFAUQTQD-UHFFFAOYSA-N
XLogP1.42
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979163
3-methyl-1-(pyrrolidin-3-ylmethyl)-4-thiophen-2-ylimidazolidin-2-one
CID 116981815
4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116981844
3-methyl-1-(2-piperidin-3-ylethyl)-4-propylimidazolidin-2-one
CID 116982765
4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116979173
3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116982754
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979012
3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
CID 97169092
1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105450979
3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine
CID 116871119
2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
CID 116982087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The IUPAC name of 3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one (CID 116981847) is 3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one.
What is the SMILES notation for 3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The canonical SMILES for 3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one is CN1C(=O)N(CC2CCCNC2)CC1c1ccc[nH]1.
What is the InChIKey of 3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The InChIKey is YOELPTIFAUQTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-13(12-5-3-7-16-12)10-18(14(17)19)9-11-4-2-6-15-8-11/h3,5,7,11,13,15-16H,2,4,6,8-10H2,1H3.
What are the key properties of 3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116981847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).