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

C16H22FN3O — CID 106629687

IUPAC1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1F)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H22FN3O/c17-14-6-1-2-7-15(14)19-16(21)20(13-8-9-13)11-12-5-3-4-10-18-12/h1-2,6-7,12-13,18H,3-5,8-11H2,(H,19,21)
InChIKeyMDUQDGKJQNEVRM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.96
Rot. Bonds4

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

1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea (PubChem CID 106629687) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
PubChem CID106629687
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1F)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H22FN3O/c17-14-6-1-2-7-15(14)19-16(21)20(13-8-9-13)11-12-5-3-4-10-18-12/h1-2,6-7,12-13,18H,3-5,8-11H2,(H,19,21)
InChIKeyMDUQDGKJQNEVRM-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

3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea
CID 43187196
1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
CID 106629695
3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 106613441
1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
CID 102874295
pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
CID 79337811
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
N-cyclopropyl-2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626819
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
4-chloro-N-cyclopropyl-2-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626825

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea (CID 106629687) is 1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea is O=C(Nc1ccccc1F)N(CC1CCCCN1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea?
The InChIKey is MDUQDGKJQNEVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-14-6-1-2-7-15(14)19-16(21)20(13-8-9-13)11-12-5-3-4-10-18-12/h1-2,6-7,12-13,18H,3-5,8-11H2,(H,19,21).
What are the key properties of 1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea?
1-cyclopropyl-3-(2-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-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 106629687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).