N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide

C18H25FN4O2 — CID 166237838

IUPACN'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCN1)C(=O)NC1CCCN(c2ccccc2F)C1
InChIInChI=1S/C18H25FN4O2/c19-15-7-1-2-8-16(15)23-10-4-6-14(12-23)22-18(25)17(24)21-11-13-5-3-9-20-13/h1-2,7-8,13-14,20H,3-6,9-12H2,(H,21,24)(H,22,25)
InChIKeyRDLVRICGYVWILV-UHFFFAOYSA-N
MW348.42 g/mol
LogP0.78
Rot. Bonds4

About N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide

N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide (PubChem CID 166237838) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide
PubChem CID166237838
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC NameN'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCN1)C(=O)NC1CCCN(c2ccccc2F)C1
InChIInChI=1S/C18H25FN4O2/c19-15-7-1-2-8-16(15)23-10-4-6-14(12-23)22-18(25)17(24)21-11-13-5-3-9-20-13/h1-2,7-8,13-14,20H,3-6,9-12H2,(H,21,24)(H,22,25)
InChIKeyRDLVRICGYVWILV-UHFFFAOYSA-N
XLogP0.78
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide
CID 167012644
(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97249227
2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide
CID 136518581
1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 93355113
2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide
CID 124615432
3-ethyl-1-(2-fluorophenyl)-1,4-diazepane
CID 64942718
N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
CID 133411829
1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea
CID 97329029
1-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 99850766
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119872696
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133411794
5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one
CID 133411831

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide?
The IUPAC name of N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide (CID 166237838) is N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide?
The canonical SMILES for N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide is O=C(NCC1CCCN1)C(=O)NC1CCCN(c2ccccc2F)C1.
What is the InChIKey of N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide?
The InChIKey is RDLVRICGYVWILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c19-15-7-1-2-8-16(15)23-10-4-6-14(12-23)22-18(25)17(24)21-11-13-5-3-9-20-13/h1-2,7-8,13-14,20H,3-6,9-12H2,(H,21,24)(H,22,25).
What are the key properties of N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide?
N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide has a molecular weight of 348.42 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide is sourced from PubChem (CID 166237838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).