1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea

C23H27F3N4O2 — CID 45376291

IUPAC1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccc(OC2CCN(CC3CC3)CC2)nc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H27F3N4O2/c24-23(25,26)18-4-6-19(7-5-18)29-22(31)28-14-17-3-8-21(27-13-17)32-20-9-11-30(12-10-20)15-16-1-2-16/h3-8,13,16,20H,1-2,9-12,14-15H2,(H2,28,29,31)
InChIKeyUDHYUOPMRIEMEZ-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.68
Rot. Bonds7

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

1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 45376291) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID45376291
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC Name1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccc(OC2CCN(CC3CC3)CC2)nc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H27F3N4O2/c24-23(25,26)18-4-6-19(7-5-18)29-22(31)28-14-17-3-8-21(27-13-17)32-20-9-11-30(12-10-20)15-16-1-2-16/h3-8,13,16,20H,1-2,9-12,14-15H2,(H2,28,29,31)
InChIKeyUDHYUOPMRIEMEZ-UHFFFAOYSA-N
XLogP4.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-[(6-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 155969626
N-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190005
3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide
CID 58407734
oxo-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]borane
CID 20701189
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 55740451
3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-(2,4-dichlorophenyl)propanamide
CID 58407732
1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
CID 126795861
(5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 45376292
N-[[6-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190819
N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190747
1-[(3S)-3-[(5-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 129417053

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 45376291) is 1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(NCc1ccc(OC2CCN(CC3CC3)CC2)nc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is UDHYUOPMRIEMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c24-23(25,26)18-4-6-19(7-5-18)29-22(31)28-14-17-3-8-21(27-13-17)32-20-9-11-30(12-10-20)15-16-1-2-16/h3-8,13,16,20H,1-2,9-12,14-15H2,(H2,28,29,31).
What are the key properties of 1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 448.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 45376291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).