N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide

C18H27FN2O2 — CID 67193008

IUPACN-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide
SMILESCC(=O)NCCCC(O)(c1cc(C)ccc1F)C1CCCNC1
InChIInChI=1S/C18H27FN2O2/c1-13-6-7-17(19)16(11-13)18(23,8-4-10-21-14(2)22)15-5-3-9-20-12-15/h6-7,11,15,20,23H,3-5,8-10,12H2,1-2H3,(H,21,22)
InChIKeyJYIOOZTYLLSPTK-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.24
Rot. Bonds6

About N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide

N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide (PubChem CID 67193008) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide
PubChem CID67193008
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide
SMILESCC(=O)NCCCC(O)(c1cc(C)ccc1F)C1CCCNC1
InChIInChI=1S/C18H27FN2O2/c1-13-6-7-17(19)16(11-13)18(23,8-4-10-21-14(2)22)15-5-3-9-20-12-15/h6-7,11,15,20,23H,3-5,8-10,12H2,1-2H3,(H,21,22)
InChIKeyJYIOOZTYLLSPTK-UHFFFAOYSA-N
XLogP2.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-4-[3-fluoro-2-(2-fluoro-5-methylphenyl)phenyl]-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]acetamide
CID 68698333
methyl N-[4-(2-fluorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]carbamate
CID 68713452
[4-[3-fluoro-2-(3-methylphenyl)phenyl]-4-hydroxy-4-piperidin-3-ylbutyl]carbamic acid
CID 68692916
1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093
(1S)-1-(3-chloro-2-methylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol;N-[(4S)-4-(2,3-difluorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]acetamide;N-[(4S)-4-(3,5-difluorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]acetamide
CID 87846691
methyl N-[(4S)-4-[3-fluoro-2-(3-methoxyphenyl)phenyl]-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]carbamate
CID 91367127
methyl N-[(4S)-4-[3-fluoro-2-(3-methoxy-5-methylphenyl)phenyl]-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]carbamate
CID 71164134
1-[(4S)-4-(3-chlorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]-3-methylurea
CID 59382838
N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide
CID 67189888
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
[4-[3-chloro-2-(2-ethylphenoxy)phenyl]-4-hydroxy-4-piperidin-3-ylbutyl]carbamic acid
CID 68850063
[4-[3-chloro-2-(3-methoxyphenyl)phenyl]-4-hydroxy-4-piperidin-3-ylbutyl]carbamic acid
CID 68989123

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide?
The IUPAC name of N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide (CID 67193008) is N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide.
What is the SMILES notation for N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide?
The canonical SMILES for N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide is CC(=O)NCCCC(O)(c1cc(C)ccc1F)C1CCCNC1.
What is the InChIKey of N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide?
The InChIKey is JYIOOZTYLLSPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-13-6-7-17(19)16(11-13)18(23,8-4-10-21-14(2)22)15-5-3-9-20-12-15/h6-7,11,15,20,23H,3-5,8-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide?
N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide has a molecular weight of 322.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide is sourced from PubChem (CID 67193008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).