2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide

C17H23FN2O2 — CID 169209387

IUPAC2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide
SMILESCC(Oc1ccccc1C1CC1)C(=O)N[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C17H23FN2O2/c1-11(17(21)20-15-8-9-19-10-14(15)18)22-16-5-3-2-4-13(16)12-6-7-12/h2-5,11-12,14-15,19H,6-10H2,1H3,(H,20,21)/t11?,14-,15-/m0/s1
InChIKeyWMIYGEKCPSTVIE-CNSWMUILSA-N
MW306.38 g/mol
LogP2.15
Rot. Bonds5

About 2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide

2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide (PubChem CID 169209387) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide
PubChem CID169209387
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide
SMILESCC(Oc1ccccc1C1CC1)C(=O)N[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C17H23FN2O2/c1-11(17(21)20-15-8-9-19-10-14(15)18)22-16-5-3-2-4-13(16)12-6-7-12/h2-5,11-12,14-15,19H,6-10H2,1H3,(H,20,21)/t11?,14-,15-/m0/s1
InChIKeyWMIYGEKCPSTVIE-CNSWMUILSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437
2-phenoxy-N-(3-phenylpiperidin-4-yl)propanamide
CID 69335454
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
2-(2-bromo-4-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120555471
N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120554482
N-[(3S,4S)-3-fluoropiperidin-4-yl]-1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 169209409
methyl N-[(3R,4S)-3-fluoropiperidin-4-yl]carbamate
CID 131732391
2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553673
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075
1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 67650944

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide?
The IUPAC name of 2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide (CID 169209387) is 2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide.
What is the SMILES notation for 2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide?
The canonical SMILES for 2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide is CC(Oc1ccccc1C1CC1)C(=O)N[C@H]1CCNC[C@@H]1F.
What is the InChIKey of 2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide?
The InChIKey is WMIYGEKCPSTVIE-CNSWMUILSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-11(17(21)20-15-8-9-19-10-14(15)18)22-16-5-3-2-4-13(16)12-6-7-12/h2-5,11-12,14-15,19H,6-10H2,1H3,(H,20,21)/t11?,14-,15-/m0/s1.
What are the key properties of 2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide?
2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide has a molecular weight of 306.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide is sourced from PubChem (CID 169209387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).