1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea

C18H22FN5O — CID 126793193

IUPAC1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESCC(c1ccncc1)N1CCC(NC(=O)Nc2ccc(F)cn2)CC1
InChIInChI=1S/C18H22FN5O/c1-13(14-4-8-20-9-5-14)24-10-6-16(7-11-24)22-18(25)23-17-3-2-15(19)12-21-17/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3,(H2,21,22,23,25)
InChIKeyQWECIKOPIZAVTD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.96
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea

1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea (PubChem CID 126793193) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
PubChem CID126793193
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESCC(c1ccncc1)N1CCC(NC(=O)Nc2ccc(F)cn2)CC1
InChIInChI=1S/C18H22FN5O/c1-13(14-4-8-20-9-5-14)24-10-6-16(7-11-24)22-18(25)23-17-3-2-15(19)12-21-17/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3,(H2,21,22,23,25)
InChIKeyQWECIKOPIZAVTD-UHFFFAOYSA-N
XLogP2.96
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 75386726
5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 124591641
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
CID 124591552
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 166231700
4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120955109
1-methyl-1-(2-methylprop-2-enyl)-3-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]urea
CID 124615698
1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477022
1-(5-fluoro-2-pyridinyl)-3-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477020
4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 124591472
3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide
CID 124616754

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea (CID 126793193) is 1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea is CC(c1ccncc1)N1CCC(NC(=O)Nc2ccc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The InChIKey is QWECIKOPIZAVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-13(14-4-8-20-9-5-14)24-10-6-16(7-11-24)22-18(25)23-17-3-2-15(19)12-21-17/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea has a molecular weight of 343.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 126793193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).