N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride

C18H27ClFN3O2 — CID 119517736

IUPACN-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
SMILESCC(N)C1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C18H26FN3O2.ClH/c1-13(20)14-8-11-22(12-9-14)17(23)3-2-10-21-18(24)15-4-6-16(19)7-5-15;/h4-7,13-14H,2-3,8-12,20H2,1H3,(H,21,24);1H
InChIKeyBIULXWVOUMLXNP-UHFFFAOYSA-N
MW371.88 g/mol
LogP2.34
Rot. Bonds6

About N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride

N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride (PubChem CID 119517736) has the molecular formula C18H27ClFN3O2 and a molecular weight of 371.88 g/mol. Its IUPAC name is N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
PubChem CID119517736
Molecular FormulaC18H27ClFN3O2
Molecular Weight371.88 g/mol
Exact Mass371.18
IUPAC NameN-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
SMILESCC(N)C1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C18H26FN3O2.ClH/c1-13(20)14-8-11-22(12-9-14)17(23)3-2-10-21-18(24)15-4-6-16(19)7-5-15;/h4-7,13-14H,2-3,8-12,20H2,1H3,(H,21,24);1H
InChIKeyBIULXWVOUMLXNP-UHFFFAOYSA-N
XLogP2.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.88
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
CID 119593706
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119520156
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119517972
4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide
CID 86891199
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-fluorobenzamide
CID 119631800
N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride
CID 119709967
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride (CID 119517736) is N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride is CC(N)C1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is BIULXWVOUMLXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2.ClH/c1-13(20)14-8-11-22(12-9-14)17(23)3-2-10-21-18(24)15-4-6-16(19)7-5-15;/h4-7,13-14H,2-3,8-12,20H2,1H3,(H,21,24);1H.
What are the key properties of N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride?
N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 371.88 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119517736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).