1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

C17H25F3N4O2 — CID 119049071

IUPAC1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCOc1cc(C(F)(F)F)ncc1NC(=O)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C17H25F3N4O2/c1-11(2)10-24-6-4-12(5-7-24)22-16(25)23-13-9-21-15(17(18,19)20)8-14(13)26-3/h8-9,11-12H,4-7,10H2,1-3H3,(H2,22,23,25)
InChIKeyMRCDRXRHVBYUFI-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.35
Rot. Bonds5

About 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (PubChem CID 119049071) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
PubChem CID119049071
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCOc1cc(C(F)(F)F)ncc1NC(=O)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C17H25F3N4O2/c1-11(2)10-24-6-4-12(5-7-24)22-16(25)23-13-9-21-15(17(18,19)20)8-14(13)26-3/h8-9,11-12H,4-7,10H2,1-3H3,(H2,22,23,25)
InChIKeyMRCDRXRHVBYUFI-UHFFFAOYSA-N
XLogP3.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
CID 118712949
3-Ethyl-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-1-methylurea
CID 53595463
1-[1-[2-(Difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-pyridin-4-ylurea
CID 72011356
4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 17405710
1-Cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea
CID 45827743
1-[(1-Ethylpiperidin-4-yl)methyl]-3-(2-methoxy-3-pyridinyl)urea
CID 47076642
tert-butyl N-[[1-[(2-methoxy-3-pyridinyl)carbamoyl]piperidin-3-yl]methyl]carbamate
CID 48114508
4-(acetamidomethyl)-N-(2-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 51082442
1-N-(2-methoxy-3-pyridinyl)-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 53552213
1-[1-(2-Methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylurea
CID 72010866
1-[1-[2-(Difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 72011354
1-Ethyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea
CID 72012403

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The IUPAC name of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (CID 119049071) is 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is COc1cc(C(F)(F)F)ncc1NC(=O)NC1CCN(CC(C)C)CC1.
What is the InChIKey of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The InChIKey is MRCDRXRHVBYUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-11(2)10-24-6-4-12(5-7-24)22-16(25)23-13-9-21-15(17(18,19)20)8-14(13)26-3/h8-9,11-12H,4-7,10H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea has a molecular weight of 374.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is sourced from PubChem (CID 119049071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).