2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide

C21H32FN3O2 — CID 46965059

IUPAC2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide
SMILESO=C(CN1CCCCCC1)NCCN1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H32FN3O2/c22-19-7-5-18(6-8-19)21(27)9-14-24(15-10-21)16-11-23-20(26)17-25-12-3-1-2-4-13-25/h5-8,27H,1-4,9-17H2,(H,23,26)
InChIKeyBZWJPIMBHQEQLT-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.10
Rot. Bonds6

About 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide

2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide (PubChem CID 46965059) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide
PubChem CID46965059
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC Name2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide
SMILESO=C(CN1CCCCCC1)NCCN1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H32FN3O2/c22-19-7-5-18(6-8-19)21(27)9-14-24(15-10-21)16-11-23-20(26)17-25-12-3-1-2-4-13-25/h5-8,27H,1-4,9-17H2,(H,23,26)
InChIKeyBZWJPIMBHQEQLT-UHFFFAOYSA-N
XLogP2.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]acetamide
CID 46965115
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]acetamide
CID 16673348
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 46965069
N-[2-(4-fluorophenyl)ethyl]-2-(3-hydroxy-3-phenylpyrrolidin-1-yl)acetamide
CID 50960793
2-(2-chlorophenyl)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]acetamide
CID 46965118
2-amino-N-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 21428879
1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone
CID 91833895
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457689
3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 91842375
3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide (CID 46965059) is 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide is O=C(CN1CCCCCC1)NCCN1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide?
The InChIKey is BZWJPIMBHQEQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c22-19-7-5-18(6-8-19)21(27)9-14-24(15-10-21)16-11-23-20(26)17-25-12-3-1-2-4-13-25/h5-8,27H,1-4,9-17H2,(H,23,26).
What are the key properties of 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide?
2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide has a molecular weight of 377.50 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 46965059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).