3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea

C16H24FN3O — CID 79701630

IUPAC3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
SMILESCC(C)N(CC1CCNCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H24FN3O/c1-12(2)20(11-13-7-9-18-10-8-13)16(21)19-15-6-4-3-5-14(15)17/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,21)
InChIKeyDVRBHDHZAXMGKC-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.07
Rot. Bonds4

About 3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea

3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea (PubChem CID 79701630) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
PubChem CID79701630
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
SMILESCC(C)N(CC1CCNCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H24FN3O/c1-12(2)20(11-13-7-9-18-10-8-13)16(21)19-15-6-4-3-5-14(15)17/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,21)
InChIKeyDVRBHDHZAXMGKC-UHFFFAOYSA-N
XLogP3.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 107654227
4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190120
1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
CID 107172661
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212
1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea
CID 43523415
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 119930491
3-bromo-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107956248
3-(2,4-difluorophenyl)-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613190

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea?
The IUPAC name of 3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea (CID 79701630) is 3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea?
The canonical SMILES for 3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea is CC(C)N(CC1CCNCC1)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea?
The InChIKey is DVRBHDHZAXMGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12(2)20(11-13-7-9-18-10-8-13)16(21)19-15-6-4-3-5-14(15)17/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea?
3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea has a molecular weight of 293.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea is sourced from PubChem (CID 79701630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).