N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide

C26H34FN3O3 — CID 143229435

IUPACN-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide
SMILESO=CN(CCCC1CCCN(c2ccc(Oc3cccnc3)cc2F)C1)C1CCC(O)CC1
InChIInChI=1S/C26H34FN3O3/c27-25-16-23(33-24-6-1-13-28-17-24)11-12-26(25)29-14-2-4-20(18-29)5-3-15-30(19-31)21-7-9-22(32)10-8-21/h1,6,11-13,16-17,19-22,32H,2-5,7-10,14-15,18H2
InChIKeyYGUVRFSUMXMLIG-UHFFFAOYSA-N
MW455.57 g/mol
LogP4.77
Rot. Bonds9

About N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide

N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide (PubChem CID 143229435) has the molecular formula C26H34FN3O3 and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide.

Molecular Properties

Compound NameN-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide
PubChem CID143229435
Molecular FormulaC26H34FN3O3
Molecular Weight455.57 g/mol
Exact Mass455.26
IUPAC NameN-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide
SMILESO=CN(CCCC1CCCN(c2ccc(Oc3cccnc3)cc2F)C1)C1CCC(O)CC1
InChIInChI=1S/C26H34FN3O3/c27-25-16-23(33-24-6-1-13-28-17-24)11-12-26(25)29-14-2-4-20(18-29)5-3-15-30(19-31)21-7-9-22(32)10-8-21/h1,6,11-13,16-17,19-22,32H,2-5,7-10,14-15,18H2
InChIKeyYGUVRFSUMXMLIG-UHFFFAOYSA-N
XLogP4.77
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
CID 143229815
N-[3-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]propyl]-N-(oxan-4-yl)formamide
CID 143229551
N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
CID 143229783
N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol
CID 143229829
N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
CID 143229447
N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide
CID 143229391
N-cyclohexyl-N-[2-[1-(2,5-difluorophenyl)piperidin-3-yl]ethyl]formamide
CID 143229552
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]cyclohexanecarboxamide;methanol
CID 143229655
propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate
CID 143229718
[4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid
CID 143229692
N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229533
N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
CID 143229407

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide?
The IUPAC name of N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide (CID 143229435) is N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide.
What is the SMILES notation for N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide?
The canonical SMILES for N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide is O=CN(CCCC1CCCN(c2ccc(Oc3cccnc3)cc2F)C1)C1CCC(O)CC1.
What is the InChIKey of N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide?
The InChIKey is YGUVRFSUMXMLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O3/c27-25-16-23(33-24-6-1-13-28-17-24)11-12-26(25)29-14-2-4-20(18-29)5-3-15-30(19-31)21-7-9-22(32)10-8-21/h1,6,11-13,16-17,19-22,32H,2-5,7-10,14-15,18H2.
What are the key properties of N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide?
N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide has a molecular weight of 455.57 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-fluoro-4-pyridin-3-yloxyphenyl)piperidin-3-yl]propyl]-N-(4-hydroxycyclohexyl)formamide is sourced from PubChem (CID 143229435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).