3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide

C24H28FN3O2 — CID 57403173

IUPAC3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCCN2CCC(COCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H28FN3O2/c25-23-7-5-19(6-8-23)17-30-18-20-9-13-28(14-10-20)12-2-11-27-24(29)22-4-1-3-21(15-22)16-26/h1,3-8,15,20H,2,9-14,17-18H2,(H,27,29)
InChIKeyGQSLIZWVXZXWJO-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.75
Rot. Bonds9

About 3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide

3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide (PubChem CID 57403173) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide
PubChem CID57403173
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCCN2CCC(COCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H28FN3O2/c25-23-7-5-19(6-8-23)17-30-18-20-9-13-28(14-10-20)12-2-11-27-24(29)22-4-1-3-21(15-22)16-26/h1,3-8,15,20H,2,9-14,17-18H2,(H,27,29)
InChIKeyGQSLIZWVXZXWJO-UHFFFAOYSA-N
XLogP3.75
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.75
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-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-m-tolyl-ethyl}-2,4-difluoro-benzamide
CID 10874453
LON-WEI-b2874fec-8
CID 132359762
Methyl 2-[(3-{[(4-fluorobenzoyl)amino]methyl}-1-piperidinyl)carbonyl]benzoate
CID 24791206
3,4-difluoro-N-(3-(2-phenylmorpholino)propyl)benzamide
CID 16892552
Methyl 3-[(4-{3-[(4-fluorobenzyl)amino]-3-oxopropyl}-1-piperidinyl)carbonyl]benzoate
CID 24793455
Methyl 4-[(3-{[(4-fluorobenzoyl)amino]methyl}-1-piperidinyl)carbonyl]benzoate
CID 24817518
N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide
CID 31282035
1-(4-fluorobenzoyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 42925910
N-ethyl-3-[[[3-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 45895766
2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide
CID 46890862
(3-((Benzyloxy)methyl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 49669932
(4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone
CID 49677779

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide?
The IUPAC name of 3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide (CID 57403173) is 3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide is N#Cc1cccc(C(=O)NCCCN2CCC(COCc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide?
The InChIKey is GQSLIZWVXZXWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-23-7-5-19(6-8-23)17-30-18-20-9-13-28(14-10-20)12-2-11-27-24(29)22-4-1-3-21(15-22)16-26/h1,3-8,15,20H,2,9-14,17-18H2,(H,27,29).
What are the key properties of 3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide?
3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 57403173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).