[1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid

C24H23FN4O5 — CID 118038505

IUPAC[1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid
SMILESNC(=O)c1cc(N2CCCC(NC(=O)O)C2)cnc1Oc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C24H23FN4O5/c25-15-3-1-5-20(11-15)33-18-6-8-19(9-7-18)34-23-21(22(26)30)12-17(13-27-23)29-10-2-4-16(14-29)28-24(31)32/h1,3,5-9,11-13,16,28H,2,4,10,14H2,(H2,26,30)(H,31,32)
InChIKeyXNHHZTDQQUAPRA-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.14
Rot. Bonds7

About [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid

[1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid (PubChem CID 118038505) has the molecular formula C24H23FN4O5 and a molecular weight of 466.47 g/mol. Its IUPAC name is [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid
PubChem CID118038505
Molecular FormulaC24H23FN4O5
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name[1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid
SMILESNC(=O)c1cc(N2CCCC(NC(=O)O)C2)cnc1Oc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C24H23FN4O5/c25-15-3-1-5-20(11-15)33-18-6-8-19(9-7-18)34-23-21(22(26)30)12-17(13-27-23)29-10-2-4-16(14-29)28-24(31)32/h1,3,5-9,11-13,16,28H,2,4,10,14H2,(H2,26,30)(H,31,32)
InChIKeyXNHHZTDQQUAPRA-UHFFFAOYSA-N
XLogP4.14
TPSA127.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid with MolForge

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Related Compounds

5-[3-(but-2-enoylamino)pyrrolidin-1-yl]-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxamide
CID 123773558
5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid
CID 122513227
5-chloro-2-(3-fluorophenoxy)pyridine-3-carboxamide
CID 141112034
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
5-(5-but-2-enoyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 123449393
[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
CID 70982126
methyl 2-[4-(3-fluorophenoxy)phenoxy]-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 118043269
2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 55802649
2-(4-phenoxyphenoxy)-5-[(3R)-1-propanoylpiperidin-3-yl]pyridine-3-carboxamide
CID 156613436
5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 146879106
(1-phenylpiperidin-3-yl)urea
CID 121416777
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456

Frequently Asked Questions

What is the IUPAC name of [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid (CID 118038505) is [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid is NC(=O)c1cc(N2CCCC(NC(=O)O)C2)cnc1Oc1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid?
The InChIKey is XNHHZTDQQUAPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5/c25-15-3-1-5-20(11-15)33-18-6-8-19(9-7-18)34-23-21(22(26)30)12-17(13-27-23)29-10-2-4-16(14-29)28-24(31)32/h1,3,5-9,11-13,16,28H,2,4,10,14H2,(H2,26,30)(H,31,32).
What are the key properties of [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid?
[1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid has a molecular weight of 466.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 118038505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).