N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide

C17H24FN3O3 — CID 119783001

IUPACN-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCNC(=O)c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C17H24FN3O3/c1-24-17(7-11-19-12-8-17)16(23)21-10-2-9-20-15(22)13-3-5-14(18)6-4-13/h3-6,19H,2,7-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyRFMUTCYFNLBKKL-UHFFFAOYSA-N
MW337.39 g/mol
LogP0.83
Rot. Bonds7

About N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide

N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119783001) has the molecular formula C17H24FN3O3 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119783001
Molecular FormulaC17H24FN3O3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC NameN-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCNC(=O)c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C17H24FN3O3/c1-24-17(7-11-19-12-8-17)16(23)21-10-2-9-20-15(22)13-3-5-14(18)6-4-13/h3-6,19H,2,7-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyRFMUTCYFNLBKKL-UHFFFAOYSA-N
XLogP0.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide
CID 119683968
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119683967
4-methoxy-N-[4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119739010
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896389
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119882002
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
CID 124588204
N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-methoxypiperidine-4-carboxamide
CID 119703580

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide (CID 119783001) is N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCCNC(=O)c2ccc(F)cc2)CCNCC1.
What is the InChIKey of N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is RFMUTCYFNLBKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-24-17(7-11-19-12-8-17)16(23)21-10-2-9-20-15(22)13-3-5-14(18)6-4-13/h3-6,19H,2,7-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide?
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119783001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).