N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide

C17H22FN3O2 — CID 1445047

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide
SMILESC1CC1NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)F
InChIInChI=1S/C17H22FN3O2/c18-13-3-1-2-12(10-13)17(23)20-15-6-8-21(9-7-15)11-16(22)19-14-4-5-14/h1-3,10,14-15H,4-9,11H2,(H,19,22)(H,20,23)
InChIKeyPUQGOIOZZNCDIF-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.80
Rot. Bonds5

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide (PubChem CID 1445047) has the molecular formula C17H22FN3O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide
PubChem CID1445047
Molecular FormulaC17H22FN3O2
Molecular Weight319.37 g/mol
Exact Mass319.17
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide
SMILESC1CC1NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)F
InChIInChI=1S/C17H22FN3O2/c18-13-3-1-2-12(10-13)17(23)20-15-6-8-21(9-7-15)11-16(22)19-14-4-5-14/h1-3,10,14-15H,4-9,11H2,(H,19,22)(H,20,23)
InChIKeyPUQGOIOZZNCDIF-UHFFFAOYSA-N
XLogP1.80
TPSA61.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity434

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Z944
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4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
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CID 164946740
CID 164946740
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
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N-(N-benzylpiperidin-4-yl)-4-iodobenzamide
CID 132995

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide (CID 1445047) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide is C1CC1NC(=O)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)F.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
The InChIKey is PUQGOIOZZNCDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-13-3-1-2-12(10-13)17(23)20-15-6-8-21(9-7-15)11-16(22)19-14-4-5-14/h1-3,10,14-15H,4-9,11H2,(H,19,22)(H,20,23).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide has a molecular weight of 319.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 1445047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).