1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea

C19H29N3O3 — CID 131703048

IUPAC1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
SMILESCOc1ccc(CNC(=O)NCC2CCN(C3CCOC3)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-24-18-4-2-15(3-5-18)12-20-19(23)21-13-16-6-9-22(10-7-16)17-8-11-25-14-17/h2-5,16-17H,6-14H2,1H3,(H2,20,21,23)
InChIKeyCKPMJILUAWDENF-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.00
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea

1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea (PubChem CID 131703048) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
PubChem CID131703048
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
SMILESCOc1ccc(CNC(=O)NCC2CCN(C3CCOC3)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-24-18-4-2-15(3-5-18)12-20-19(23)21-13-16-6-9-22(10-7-16)17-8-11-25-14-17/h2-5,16-17H,6-14H2,1H3,(H2,20,21,23)
InChIKeyCKPMJILUAWDENF-UHFFFAOYSA-N
XLogP2.00
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea with MolForge

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Related Compounds

1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 119104084
1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 121108845
1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 119104088
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
CID 121021220
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide
CID 23732897
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 51117985
1-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 98760898
1-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-[(4-methoxyphenyl)methyl]urea
CID 91923051
1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95762758

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea (CID 131703048) is 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea is COc1ccc(CNC(=O)NCC2CCN(C3CCOC3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea?
The InChIKey is CKPMJILUAWDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-18-4-2-15(3-5-18)12-20-19(23)21-13-16-6-9-22(10-7-16)17-8-11-25-14-17/h2-5,16-17H,6-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea has a molecular weight of 347.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 131703048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).