(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide

C17H24FN3O3 — CID 125163469

IUPAC(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1OCCCN
InChIInChI=1S/C17H24FN3O3/c1-20-16(22)14-5-2-3-9-21(14)17(23)13-11-12(18)6-7-15(13)24-10-4-8-19/h6-7,11,14H,2-5,8-10,19H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyUCLLQKHOLYUZCC-AWEZNQCLSA-N
MW337.40 g/mol
LogP1.29
Rot. Bonds6

About (2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide

(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 125163469) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is (2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide
PubChem CID125163469
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1OCCCN
InChIInChI=1S/C17H24FN3O3/c1-20-16(22)14-5-2-3-9-21(14)17(23)13-11-12(18)6-7-15(13)24-10-4-8-19/h6-7,11,14H,2-5,8-10,19H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyUCLLQKHOLYUZCC-AWEZNQCLSA-N
XLogP1.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-aminopropoxy)-4-chlorobenzoyl]-N-methylpiperidine-2-carboxamide
CID 118774005
1-(2-amino-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 63110168
[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 126449120
(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide
CID 124756393
[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 126423261
[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 118775958
[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 118785190
[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 126444823
[2-(2-aminoethoxy)-5-fluorophenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166174937
[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 118767196
1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 62815781

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide (CID 125163469) is (2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide is CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1OCCCN.
What is the InChIKey of (2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is UCLLQKHOLYUZCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-20-16(22)14-5-2-3-9-21(14)17(23)13-11-12(18)6-7-15(13)24-10-4-8-19/h6-7,11,14H,2-5,8-10,19H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide?
(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 125163469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).