1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea

C18H22F3N5O — CID 24735472

IUPAC1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea
SMILESCCNC(=O)NCC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H22F3N5O/c1-2-22-17(27)24-11-12-6-9-26(10-7-12)16-13-3-4-15(18(19,20)21)25-14(13)5-8-23-16/h3-5,8,12H,2,6-7,9-11H2,1H3,(H2,22,24,27)
InChIKeyLPIHDIJUFXAVCO-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.18
Rot. Bonds4

About 1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea

1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea (PubChem CID 24735472) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea
PubChem CID24735472
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea
SMILESCCNC(=O)NCC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H22F3N5O/c1-2-22-17(27)24-11-12-6-9-26(10-7-12)16-13-3-4-15(18(19,20)21)25-14(13)5-8-23-16/h3-5,8,12H,2,6-7,9-11H2,1H3,(H2,22,24,27)
InChIKeyLPIHDIJUFXAVCO-UHFFFAOYSA-N
XLogP3.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine
CID 24735477
N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 24735526
N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride
CID 24735422
5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 11514685
1-[cyclopropylmethyl-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]amino]-3-phenoxypropan-2-ol;hydrochloride
CID 24735520
5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine
CID 24735017
N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 24735489
1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone
CID 24734928
2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
CID 67364339
N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrimidin-2-ylacetamide
CID 71238708
3-methyl-5-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 68743498
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea (CID 24735472) is 1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea is CCNC(=O)NCC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea?
The InChIKey is LPIHDIJUFXAVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-2-22-17(27)24-11-12-6-9-26(10-7-12)16-13-3-4-15(18(19,20)21)25-14(13)5-8-23-16/h3-5,8,12H,2,6-7,9-11H2,1H3,(H2,22,24,27).
What are the key properties of 1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea?
1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea has a molecular weight of 381.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea is sourced from PubChem (CID 24735472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).