1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea

C23H31N3O — CID 134801782

IUPAC1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
SMILESCc1cccc(-c2cccc(CN3CCC(NC(=O)NC(C)C)CC3)c2)c1
InChIInChI=1S/C23H31N3O/c1-17(2)24-23(27)25-22-10-12-26(13-11-22)16-19-7-5-9-21(15-19)20-8-4-6-18(3)14-20/h4-9,14-15,17,22H,10-13,16H2,1-3H3,(H2,24,25,27)
InChIKeyMQYZBWJPFUIDID-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.33
Rot. Bonds5

About 1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea

1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea (PubChem CID 134801782) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
PubChem CID134801782
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
SMILESCc1cccc(-c2cccc(CN3CCC(NC(=O)NC(C)C)CC3)c2)c1
InChIInChI=1S/C23H31N3O/c1-17(2)24-23(27)25-22-10-12-26(13-11-22)16-19-7-5-9-21(15-19)20-8-4-6-18(3)14-20/h4-9,14-15,17,22H,10-13,16H2,1-3H3,(H2,24,25,27)
InChIKeyMQYZBWJPFUIDID-UHFFFAOYSA-N
XLogP4.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea
CID 134803994
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 100660209
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9266085
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258
2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoic acid
CID 5192686
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea (CID 134801782) is 1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea is Cc1cccc(-c2cccc(CN3CCC(NC(=O)NC(C)C)CC3)c2)c1.
What is the InChIKey of 1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea?
The InChIKey is MQYZBWJPFUIDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17(2)24-23(27)25-22-10-12-26(13-11-22)16-19-7-5-9-21(15-19)20-8-4-6-18(3)14-20/h4-9,14-15,17,22H,10-13,16H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea?
1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 365.52 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 134801782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).