4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene

C23H31FN2O2 — CID 142509357

IUPAC4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene
SMILESCCCOCc1ccccc1.O=C(NCC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O.C10H14O/c14-12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10;1-2-8-11-9-10-6-4-3-5-7-10/h1-4,10,15H,5-9H2,(H,16,17);3-7H,2,8-9H2,1H3
InChIKeyLPOZQSHQKHZHQT-UHFFFAOYSA-N
MW386.51 g/mol
LogP4.17
Rot. Bonds7

About 4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene

4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene (PubChem CID 142509357) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene.

Molecular Properties

Compound Name4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene
PubChem CID142509357
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC Name4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene
SMILESCCCOCc1ccccc1.O=C(NCC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O.C10H14O/c14-12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10;1-2-8-11-9-10-6-4-3-5-7-10/h1-4,10,15H,5-9H2,(H,16,17);3-7H,2,8-9H2,1H3
InChIKeyLPOZQSHQKHZHQT-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.17
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-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99624808
N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
CID 99928855
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
N-phenylmethoxy-1-piperidin-4-ylmethanamine
CID 82709378
4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide
CID 174760700

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene?
The IUPAC name of 4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene (CID 142509357) is 4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene.
What is the SMILES notation for 4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene?
The canonical SMILES for 4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene is CCCOCc1ccccc1.O=C(NCC1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene?
The InChIKey is LPOZQSHQKHZHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.C10H14O/c14-12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10;1-2-8-11-9-10-6-4-3-5-7-10/h1-4,10,15H,5-9H2,(H,16,17);3-7H,2,8-9H2,1H3.
What are the key properties of 4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene?
4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene has a molecular weight of 386.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(piperidin-4-ylmethyl)benzamide;propoxymethylbenzene is sourced from PubChem (CID 142509357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).