1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea

C17H23F3N4O2 — CID 119049092

IUPAC1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCOc1cc(C(F)(F)F)ncc1NC(=O)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C17H23F3N4O2/c1-26-14-8-15(17(18,19)20)21-9-13(14)23-16(25)22-12-4-6-24(7-5-12)10-11-2-3-11/h8-9,11-12H,2-7,10H2,1H3,(H2,22,23,25)
InChIKeyUQPAREGQVCQWEA-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.10
Rot. Bonds5

About 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea

1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 119049092) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID119049092
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCOc1cc(C(F)(F)F)ncc1NC(=O)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C17H23F3N4O2/c1-26-14-8-15(17(18,19)20)21-9-13(14)23-16(25)22-12-4-6-24(7-5-12)10-11-2-3-11/h8-9,11-12H,2-7,10H2,1H3,(H2,22,23,25)
InChIKeyUQPAREGQVCQWEA-UHFFFAOYSA-N
XLogP3.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea (CID 119049092) is 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea is COc1cc(C(F)(F)F)ncc1NC(=O)NC1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is UQPAREGQVCQWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-26-14-8-15(17(18,19)20)21-9-13(14)23-16(25)22-12-4-6-24(7-5-12)10-11-2-3-11/h8-9,11-12H,2-7,10H2,1H3,(H2,22,23,25).
What are the key properties of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea?
1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 372.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 119049092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).