1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea

C19H23FN4O2 — CID 55819274

IUPAC1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
SMILESCOc1ccc(CN2CCC(NC(=O)Nc3cccnc3)CC2)cc1F
InChIInChI=1S/C19H23FN4O2/c1-26-18-5-4-14(11-17(18)20)13-24-9-6-15(7-10-24)22-19(25)23-16-3-2-8-21-12-16/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H2,22,23,25)
InChIKeyZCKPUJYKWNYMJS-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.02
Rot. Bonds5

About 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea

1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea (PubChem CID 55819274) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
PubChem CID55819274
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
SMILESCOc1ccc(CN2CCC(NC(=O)Nc3cccnc3)CC2)cc1F
InChIInChI=1S/C19H23FN4O2/c1-26-18-5-4-14(11-17(18)20)13-24-9-6-15(7-10-24)22-19(25)23-16-3-2-8-21-12-16/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H2,22,23,25)
InChIKeyZCKPUJYKWNYMJS-UHFFFAOYSA-N
XLogP3.02
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]urea
CID 55817120
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methoxyphenyl)urea
CID 87008877
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-phenylbutan-2-yl)urea
CID 55909734
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55909347
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 55909091
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55958260
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55957750

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea (CID 55819274) is 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea is COc1ccc(CN2CCC(NC(=O)Nc3cccnc3)CC2)cc1F.
What is the InChIKey of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea?
The InChIKey is ZCKPUJYKWNYMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-26-18-5-4-14(11-17(18)20)13-24-9-6-15(7-10-24)22-19(25)23-16-3-2-8-21-12-16/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H2,22,23,25).
What are the key properties of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea?
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea has a molecular weight of 358.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 55819274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).