2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide

C19H29FN2O2 — CID 111109476

IUPAC2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2O2/c1-2-3-4-11-21-18(23)14-22-12-9-16(10-13-22)19(24)15-5-7-17(20)8-6-15/h5-8,16,19,24H,2-4,9-14H2,1H3,(H,21,23)
InChIKeyUZIUODSUWJJLAP-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.88
Rot. Bonds8

About 2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide

2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide (PubChem CID 111109476) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide
PubChem CID111109476
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2O2/c1-2-3-4-11-21-18(23)14-22-12-9-16(10-13-22)19(24)15-5-7-17(20)8-6-15/h5-8,16,19,24H,2-4,9-14H2,1H3,(H,21,23)
InChIKeyUZIUODSUWJJLAP-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.88
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-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979
N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 111109172
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide
CID 8804929
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 111109219
2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16595090
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 111974919
2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36668372
N-[(2-fluorophenyl)methyl]-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 55519648
N-ethyl-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-oxobutanamide
CID 111434257
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide (CID 111109476) is 2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide is CCCCCNC(=O)CN1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide?
The InChIKey is UZIUODSUWJJLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-2-3-4-11-21-18(23)14-22-12-9-16(10-13-22)19(24)15-5-7-17(20)8-6-15/h5-8,16,19,24H,2-4,9-14H2,1H3,(H,21,23).
What are the key properties of 2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide?
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide has a molecular weight of 336.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide is sourced from PubChem (CID 111109476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).