N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride

C16H23ClFN3O2 — CID 119709967

IUPACN-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride
SMILESCC(N)CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H22FN3O2.ClH/c1-11(18)10-15(21)20-8-6-14(7-9-20)19-16(22)12-2-4-13(17)5-3-12;/h2-5,11,14H,6-10,18H2,1H3,(H,19,22);1H
InChIKeyJBGLEZDNAVTAAQ-UHFFFAOYSA-N
MW343.83 g/mol
LogP1.71
Rot. Bonds4

About N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride

N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride (PubChem CID 119709967) has the molecular formula C16H23ClFN3O2 and a molecular weight of 343.83 g/mol. Its IUPAC name is N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride
PubChem CID119709967
Molecular FormulaC16H23ClFN3O2
Molecular Weight343.83 g/mol
Exact Mass343.15
IUPAC NameN-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride
SMILESCC(N)CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H22FN3O2.ClH/c1-11(18)10-15(21)20-8-6-14(7-9-20)19-16(22)12-2-4-13(17)5-3-12;/h2-5,11,14H,6-10,18H2,1H3,(H,19,22);1H
InChIKeyJBGLEZDNAVTAAQ-UHFFFAOYSA-N
XLogP1.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
N-[1-(3-aminobutanoyl)piperidin-4-yl]acetamide
CID 115738812
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
CID 119517736
N-[1-[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]piperidin-4-yl]-4-fluorobenzamide
CID 92852778

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride (CID 119709967) is N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride is CC(N)CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride?
The InChIKey is JBGLEZDNAVTAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2.ClH/c1-11(18)10-15(21)20-8-6-14(7-9-20)19-16(22)12-2-4-13(17)5-3-12;/h2-5,11,14H,6-10,18H2,1H3,(H,19,22);1H.
What are the key properties of N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride?
N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride has a molecular weight of 343.83 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119709967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).