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

C14H22N4O — CID 116980633

IUPAC1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
SMILESO=C1NC(c2cc[nH]c2)CN1CCC1CCCNC1
InChIInChI=1S/C14H22N4O/c19-14-17-13(12-3-6-16-9-12)10-18(14)7-4-11-2-1-5-15-8-11/h3,6,9,11,13,15-16H,1-2,4-5,7-8,10H2,(H,17,19)
InChIKeyGMBJBENIXZSIHA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.47
Rot. Bonds4

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

1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one (PubChem CID 116980633) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
PubChem CID116980633
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
SMILESO=C1NC(c2cc[nH]c2)CN1CCC1CCCNC1
InChIInChI=1S/C14H22N4O/c19-14-17-13(12-3-6-16-9-12)10-18(14)7-4-11-2-1-5-15-8-11/h3,6,9,11,13,15-16H,1-2,4-5,7-8,10H2,(H,17,19)
InChIKeyGMBJBENIXZSIHA-UHFFFAOYSA-N
XLogP1.47
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116982754
4-pyridin-2-yl-1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 116980606
1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979163
4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116979173
3-methyl-1-(2-piperidin-3-ylethyl)-4-propylimidazolidin-2-one
CID 116982765
6-methyl-2-(2-piperidin-3-ylethyl)pyridazin-3-one
CID 62922662
2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384935
1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 86323488
1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride
CID 53408240
3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one
CID 63596839
1-(4-fluorophenyl)-4-(2-piperidin-3-ylethyl)piperazine
CID 62356339
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
The IUPAC name of 1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one (CID 116980633) is 1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one is O=C1NC(c2cc[nH]c2)CN1CCC1CCCNC1.
What is the InChIKey of 1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
The InChIKey is GMBJBENIXZSIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14-17-13(12-3-6-16-9-12)10-18(14)7-4-11-2-1-5-15-8-11/h3,6,9,11,13,15-16H,1-2,4-5,7-8,10H2,(H,17,19).
What are the key properties of 1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one is sourced from PubChem (CID 116980633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).