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

C21H33N3O2 — CID 119104088

IUPAC1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)NCC2CCN(C3CCOC3)CC2)cc1
InChIInChI=1S/C21H33N3O2/c1-21(2,3)17-4-6-18(7-5-17)23-20(25)22-14-16-8-11-24(12-9-16)19-10-13-26-15-19/h4-7,16,19H,8-15H2,1-3H3,(H2,22,23,25)
InChIKeyCJVVAFHSLZOQCZ-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.61
Rot. Bonds4

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

1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea (PubChem CID 119104088) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
PubChem CID119104088
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)NCC2CCN(C3CCOC3)CC2)cc1
InChIInChI=1S/C21H33N3O2/c1-21(2,3)17-4-6-18(7-5-17)23-20(25)22-14-16-8-11-24(12-9-16)19-10-13-26-15-19/h4-7,16,19H,8-15H2,1-3H3,(H2,22,23,25)
InChIKeyCJVVAFHSLZOQCZ-UHFFFAOYSA-N
XLogP3.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-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-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 131703048
1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 119104084
1-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 91624185
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 119104036
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 121021211
1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
CID 71855491
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
CID 121021220
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
1-(cyclopropylmethyl)-3-[4-[[(3S)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626213
2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide
CID 119104046
2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
CID 121021222

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea (CID 119104088) is 1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea is CC(C)(C)c1ccc(NC(=O)NCC2CCN(C3CCOC3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea?
The InChIKey is CJVVAFHSLZOQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-21(2,3)17-4-6-18(7-5-17)23-20(25)22-14-16-8-11-24(12-9-16)19-10-13-26-15-19/h4-7,16,19H,8-15H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea?
1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea has a molecular weight of 359.51 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 119104088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).