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

C17H27N3O3 — CID 94017525

IUPAC1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCCO1)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C17H27N3O3/c21-17(18-12-14-6-4-10-22-14)19-13-15(16-7-5-11-23-16)20-8-2-1-3-9-20/h5,7,11,14-15H,1-4,6,8-10,12-13H2,(H2,18,19,21)/t14-,15+/m0/s1
InChIKeyPXCINJUHWUBHLK-LSDHHAIUSA-N
MW321.42 g/mol
LogP2.28
Rot. Bonds6

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

1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 94017525) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID94017525
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCCO1)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C17H27N3O3/c21-17(18-12-14-6-4-10-22-14)19-13-15(16-7-5-11-23-16)20-8-2-1-3-9-20/h5,7,11,14-15H,1-4,6,8-10,12-13H2,(H2,18,19,21)/t14-,15+/m0/s1
InChIKeyPXCINJUHWUBHLK-LSDHHAIUSA-N
XLogP2.28
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94017504
1-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94154069
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94154068
N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7162671
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine
CID 47083229
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 55769977
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95130212

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea (CID 94017525) is 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea is O=C(NC[C@@H]1CCCO1)NC[C@H](c1ccco1)N1CCCCC1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is PXCINJUHWUBHLK-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-17(18-12-14-6-4-10-22-14)19-13-15(16-7-5-11-23-16)20-8-2-1-3-9-20/h5,7,11,14-15H,1-4,6,8-10,12-13H2,(H2,18,19,21)/t14-,15+/m0/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 321.42 g/mol, XLogP of 2.28, 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-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94017525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).