1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea

C15H20ClF3N4O — CID 2796187

IUPAC1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H20ClF3N4O/c1-2-5-20-14(24)22-11-3-6-23(7-4-11)13-12(16)8-10(9-21-13)15(17,18)19/h8-9,11H,2-7H2,1H3,(H2,20,22,24)
InChIKeyHWOFQMFRVYMBHL-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.43
Rot. Bonds4

About 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea

1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea (PubChem CID 2796187) has the molecular formula C15H20ClF3N4O and a molecular weight of 364.80 g/mol. Its IUPAC name is 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea
PubChem CID2796187
Molecular FormulaC15H20ClF3N4O
Molecular Weight364.80 g/mol
Exact Mass364.13
IUPAC Name1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H20ClF3N4O/c1-2-5-20-14(24)22-11-3-6-23(7-4-11)13-12(16)8-10(9-21-13)15(17,18)19/h8-9,11H,2-7H2,1H3,(H2,20,22,24)
InChIKeyHWOFQMFRVYMBHL-UHFFFAOYSA-N
XLogP3.43
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea?
The IUPAC name of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea (CID 2796187) is 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea.
What is the SMILES notation for 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea?
The canonical SMILES for 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea is CCCNC(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea?
The InChIKey is HWOFQMFRVYMBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N4O/c1-2-5-20-14(24)22-11-3-6-23(7-4-11)13-12(16)8-10(9-21-13)15(17,18)19/h8-9,11H,2-7H2,1H3,(H2,20,22,24).
What are the key properties of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea?
1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea has a molecular weight of 364.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-propylurea is sourced from PubChem (CID 2796187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).