1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea

C19H26N4O2 — CID 94153994

IUPAC1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1cccnc1
InChIInChI=1S/C19H26N4O2/c1-15(16-7-5-9-20-13-16)22-19(24)21-14-17(18-8-6-12-25-18)23-10-3-2-4-11-23/h5-9,12-13,15,17H,2-4,10-11,14H2,1H3,(H2,21,22,24)/t15-,17+/m0/s1
InChIKeyDWFHWBADAXXUBX-DOTOQJQBSA-N
MW342.44 g/mol
LogP3.26
Rot. Bonds6

About 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea

1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea (PubChem CID 94153994) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
PubChem CID94153994
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1cccnc1
InChIInChI=1S/C19H26N4O2/c1-15(16-7-5-9-20-13-16)22-19(24)21-14-17(18-8-6-12-25-18)23-10-3-2-4-11-23/h5-9,12-13,15,17H,2-4,10-11,14H2,1H3,(H2,21,22,24)/t15-,17+/m0/s1
InChIKeyDWFHWBADAXXUBX-DOTOQJQBSA-N
XLogP3.26
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea with MolForge

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Related Compounds

1-[(1S)-1-pyridin-3-ylethyl]-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 94160263
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146032
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146031
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97089880
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 52503052
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
CID 131907416
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
N-[2-[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111007163
2-methyl-3-(1-pyridin-3-ylethylcarbamoylamino)propanoic acid
CID 62670638
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
CID 110312900

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea (CID 94153994) is 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea is C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1cccnc1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The InChIKey is DWFHWBADAXXUBX-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(16-7-5-9-20-13-16)22-19(24)21-14-17(18-8-6-12-25-18)23-10-3-2-4-11-23/h5-9,12-13,15,17H,2-4,10-11,14H2,1H3,(H2,21,22,24)/t15-,17+/m0/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 94153994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).