N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide

C22H27FN2O3 — CID 54534798

IUPACN-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide
SMILESCO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1ccccc1
InChIInChI=1S/C22H27FN2O3/c1-27-21-16-25(13-5-15-28-19-10-8-18(23)9-11-19)14-12-20(21)24-22(26)17-6-3-2-4-7-17/h2-4,6-11,20-21H,5,12-16H2,1H3,(H,24,26)/t20-,21-/m0/s1
InChIKeyYZAJICRIKGMQKE-SFTDATJTSA-N
MW386.47 g/mol
LogP3.11
Rot. Bonds8

About N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide

N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide (PubChem CID 54534798) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide
PubChem CID54534798
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC NameN-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide
SMILESCO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1ccccc1
InChIInChI=1S/C22H27FN2O3/c1-27-21-16-25(13-5-15-28-19-10-8-18(23)9-11-19)14-12-20(21)24-22(26)17-6-3-2-4-7-17/h2-4,6-11,20-21H,5,12-16H2,1H3,(H,24,26)/t20-,21-/m0/s1
InChIKeyYZAJICRIKGMQKE-SFTDATJTSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide
CID 19883436
N-[3-methoxy-1-(3-pyrimidin-2-ylsulfanylpropyl)piperidin-4-yl]benzamide;hydrate
CID 23166466
4-amino-5-chloro-N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 6604902
N-[3-methoxy-1-(4-pyrimidin-2-ylsulfanylbutyl)piperidin-4-yl]benzamide;hydrate
CID 67834129
4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
CID 6917697
4-acetamido-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 15096838
4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;(Z)-but-2-enedioic acid
CID 69130146
4-amino-5-chloro-N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;but-2-enedioic acid
CID 69130148
N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide
CID 70049103
4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-(2-methylsulfanylethoxy)benzamide
CID 14372585
N-[(3S,4S)-1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-yl]-3,4,5-trimethoxybenzamide;hydrate;hydrochloride
CID 67914589
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide?
The IUPAC name of N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide (CID 54534798) is N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide.
What is the SMILES notation for N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide?
The canonical SMILES for N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide is CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1ccccc1.
What is the InChIKey of N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide?
The InChIKey is YZAJICRIKGMQKE-SFTDATJTSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-27-21-16-25(13-5-15-28-19-10-8-18(23)9-11-19)14-12-20(21)24-22(26)17-6-3-2-4-7-17/h2-4,6-11,20-21H,5,12-16H2,1H3,(H,24,26)/t20-,21-/m0/s1.
What are the key properties of N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide?
N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide has a molecular weight of 386.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide is sourced from PubChem (CID 54534798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).