1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide

C18H24FN3O2 — CID 51083881

IUPAC1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESCC(NC(=O)C1CCN(C(=O)NC2CC2)CC1)c1cccc(F)c1
InChIInChI=1S/C18H24FN3O2/c1-12(14-3-2-4-15(19)11-14)20-17(23)13-7-9-22(10-8-13)18(24)21-16-5-6-16/h2-4,11-13,16H,5-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyKVJMYJWGYKGFFA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.59
Rot. Bonds4

About 1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide

1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 51083881) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
PubChem CID51083881
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESCC(NC(=O)C1CCN(C(=O)NC2CC2)CC1)c1cccc(F)c1
InChIInChI=1S/C18H24FN3O2/c1-12(14-3-2-4-15(19)11-14)20-17(23)13-7-9-22(10-8-13)18(24)21-16-5-6-16/h2-4,11-13,16H,5-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyKVJMYJWGYKGFFA-UHFFFAOYSA-N
XLogP2.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 42907119
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79526822
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
1-N-cyclopropyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 47177764
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
1-[4-[1-(3-fluorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747833
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
tert-butyl 3-[1-(3-fluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711103

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide (CID 51083881) is 1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide is CC(NC(=O)C1CCN(C(=O)NC2CC2)CC1)c1cccc(F)c1.
What is the InChIKey of 1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is KVJMYJWGYKGFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-12(14-3-2-4-15(19)11-14)20-17(23)13-7-9-22(10-8-13)18(24)21-16-5-6-16/h2-4,11-13,16H,5-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 51083881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).