1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea

C20H27N3OS — CID 134803994

IUPAC1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea
SMILESCC(C)NC(=O)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1
InChIInChI=1S/C20H27N3OS/c1-15(2)21-20(24)22-18-8-10-23(11-9-18)14-16-5-3-6-17(13-16)19-7-4-12-25-19/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H2,21,22,24)
InChIKeyVHMUMJVNFXCKHH-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.09
Rot. Bonds5

About 1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea

1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea (PubChem CID 134803994) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea
PubChem CID134803994
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea
SMILESCC(C)NC(=O)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1
InChIInChI=1S/C20H27N3OS/c1-15(2)21-20(24)22-18-8-10-23(11-9-18)14-16-5-3-6-17(13-16)19-7-4-12-25-19/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H2,21,22,24)
InChIKeyVHMUMJVNFXCKHH-UHFFFAOYSA-N
XLogP4.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
CID 134801782
3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 134797827
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 55472238
N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 134799941
2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoic acid
CID 5192686
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548585
1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea?
The IUPAC name of 1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea (CID 134803994) is 1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea is CC(C)NC(=O)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1.
What is the InChIKey of 1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea?
The InChIKey is VHMUMJVNFXCKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15(2)21-20(24)22-18-8-10-23(11-9-18)14-16-5-3-6-17(13-16)19-7-4-12-25-19/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea?
1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea has a molecular weight of 357.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 134803994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).