1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea

C15H26N4O2 — CID 97222464

IUPAC1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea
SMILESCOCCN1CCC[C@@H](NC(=O)NCCn2cccc2)C1
InChIInChI=1S/C15H26N4O2/c1-21-12-11-19-9-4-5-14(13-19)17-15(20)16-6-10-18-7-2-3-8-18/h2-3,7-8,14H,4-6,9-13H2,1H3,(H2,16,17,20)/t14-/m1/s1
InChIKeyYSZRZFRQMCAHPS-CQSZACIVSA-N
MW294.40 g/mol
LogP0.90
Rot. Bonds7

About 1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea

1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea (PubChem CID 97222464) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea
PubChem CID97222464
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea
SMILESCOCCN1CCC[C@@H](NC(=O)NCCn2cccc2)C1
InChIInChI=1S/C15H26N4O2/c1-21-12-11-19-9-4-5-14(13-19)17-15(20)16-6-10-18-7-2-3-8-18/h2-3,7-8,14H,4-6,9-13H2,1H3,(H2,16,17,20)/t14-/m1/s1
InChIKeyYSZRZFRQMCAHPS-CQSZACIVSA-N
XLogP0.90
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea
CID 110747679
N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 129359727
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea
CID 97062909
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea
CID 71989949
N-cyclopentyl-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616375
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide
CID 75391136
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 97060514
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide
CID 96547519
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea?
The IUPAC name of 1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea (CID 97222464) is 1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea.
What is the SMILES notation for 1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea?
The canonical SMILES for 1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea is COCCN1CCC[C@@H](NC(=O)NCCn2cccc2)C1.
What is the InChIKey of 1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea?
The InChIKey is YSZRZFRQMCAHPS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-21-12-11-19-9-4-5-14(13-19)17-15(20)16-6-10-18-7-2-3-8-18/h2-3,7-8,14H,4-6,9-13H2,1H3,(H2,16,17,20)/t14-/m1/s1.
What are the key properties of 1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea?
1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea has a molecular weight of 294.40 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea is sourced from PubChem (CID 97222464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).