1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea

C16H25N3O2S — CID 119104084

IUPAC1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC1CCN(C2CCOC2)CC1
InChIInChI=1S/C16H25N3O2S/c20-16(18-11-15-2-1-9-22-15)17-10-13-3-6-19(7-4-13)14-5-8-21-12-14/h1-2,9,13-14H,3-8,10-12H2,(H2,17,18,20)
InChIKeyAJSQGTCUTWBKEO-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.05
Rot. Bonds5

About 1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea

1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 119104084) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID119104084
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC1CCN(C2CCOC2)CC1
InChIInChI=1S/C16H25N3O2S/c20-16(18-11-15-2-1-9-22-15)17-10-13-3-6-19(7-4-13)14-5-8-21-12-14/h1-2,9,13-14H,3-8,10-12H2,(H2,17,18,20)
InChIKeyAJSQGTCUTWBKEO-UHFFFAOYSA-N
XLogP2.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 131703048
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 119104036
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
CID 121021220
1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 119104088
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16886515
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16887280
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(thiophen-2-ylmethyl)urea
CID 100836010
2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide
CID 119104046
2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide
CID 48964508

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea (CID 119104084) is 1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NCC1CCN(C2CCOC2)CC1.
What is the InChIKey of 1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is AJSQGTCUTWBKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c20-16(18-11-15-2-1-9-22-15)17-10-13-3-6-19(7-4-13)14-5-8-21-12-14/h1-2,9,13-14H,3-8,10-12H2,(H2,17,18,20).
What are the key properties of 1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 323.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 119104084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).