1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea

C16H22FN3O — CID 106629695

IUPAC1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
SMILESO=C(Nc1cccc(F)c1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H22FN3O/c17-12-4-3-6-13(10-12)19-16(21)20(15-7-8-15)11-14-5-1-2-9-18-14/h3-4,6,10,14-15,18H,1-2,5,7-9,11H2,(H,19,21)
InChIKeyQMNHIIUHXWSJSJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.96
Rot. Bonds4

About 1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea

1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea (PubChem CID 106629695) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
PubChem CID106629695
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
SMILESO=C(Nc1cccc(F)c1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H22FN3O/c17-12-4-3-6-13(10-12)19-16(21)20(15-7-8-15)11-14-5-1-2-9-18-14/h3-4,6,10,14-15,18H,1-2,5,7-9,11H2,(H,19,21)
InChIKeyQMNHIIUHXWSJSJ-UHFFFAOYSA-N
XLogP2.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
CID 106629687
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629815
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
1-cyclopropyl-3-(3-fluorophenyl)-1-(2-methylsulfonylethyl)urea
CID 71844408
N-cyclopropyl-2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626819
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297
4-chloro-N-cyclopropyl-2-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626825
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea (CID 106629695) is 1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea is O=C(Nc1cccc(F)c1)N(CC1CCCCN1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea?
The InChIKey is QMNHIIUHXWSJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-12-4-3-6-13(10-12)19-16(21)20(15-7-8-15)11-14-5-1-2-9-18-14/h3-4,6,10,14-15,18H,1-2,5,7-9,11H2,(H,19,21).
What are the key properties of 1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea?
1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea has a molecular weight of 291.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 106629695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).