N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide

C18H25FN4O3 — CID 120580225

IUPACN-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CCCCC2CNC(=O)CCN)c1
InChIInChI=1S/C18H25FN4O3/c1-12(24)22-13-5-6-16(19)15(10-13)18(26)23-9-3-2-4-14(23)11-21-17(25)7-8-20/h5-6,10,14H,2-4,7-9,11,20H2,1H3,(H,21,25)(H,22,24)
InChIKeyNKCNEPBXAYEEIC-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.24
Rot. Bonds6

About N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide

N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide (PubChem CID 120580225) has the molecular formula C18H25FN4O3 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide.

Molecular Properties

Compound NameN-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide
PubChem CID120580225
Molecular FormulaC18H25FN4O3
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC NameN-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CCCCC2CNC(=O)CCN)c1
InChIInChI=1S/C18H25FN4O3/c1-12(24)22-13-5-6-16(19)15(10-13)18(26)23-9-3-2-4-14(23)11-21-17(25)7-8-20/h5-6,10,14H,2-4,7-9,11,20H2,1H3,(H,21,25)(H,22,24)
InChIKeyNKCNEPBXAYEEIC-UHFFFAOYSA-N
XLogP1.24
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119631292
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578179
3-amino-N-[[1-(3-bromo-2-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579999
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-[2-(2,5-difluorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578823
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578660
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578476
3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578766

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide?
The IUPAC name of N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide (CID 120580225) is N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide.
What is the SMILES notation for N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide?
The canonical SMILES for N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide is CC(=O)Nc1ccc(F)c(C(=O)N2CCCCC2CNC(=O)CCN)c1.
What is the InChIKey of N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide?
The InChIKey is NKCNEPBXAYEEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3/c1-12(24)22-13-5-6-16(19)15(10-13)18(26)23-9-3-2-4-14(23)11-21-17(25)7-8-20/h5-6,10,14H,2-4,7-9,11,20H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide?
N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide has a molecular weight of 364.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide is sourced from PubChem (CID 120580225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).