N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide

C26H34FN3O5 — CID 58756740

IUPACN-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(CCCNC(=O)COCc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C26H34FN3O5/c1-33-23-10-9-22(16-24(23)34-2)29-26(32)30-14-11-19(12-15-30)4-3-13-28-25(31)18-35-17-20-5-7-21(27)8-6-20/h5-10,16,19H,3-4,11-15,17-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyNZISECYCXTWWAQ-UHFFFAOYSA-N
MW487.57 g/mol
LogP4.20
Rot. Bonds11

About N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide

N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide (PubChem CID 58756740) has the molecular formula C26H34FN3O5 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide
PubChem CID58756740
Molecular FormulaC26H34FN3O5
Molecular Weight487.57 g/mol
Exact Mass487.25
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(CCCNC(=O)COCc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C26H34FN3O5/c1-33-23-10-9-22(16-24(23)34-2)29-26(32)30-14-11-19(12-15-30)4-3-13-28-25(31)18-35-17-20-5-7-21(27)8-6-20/h5-10,16,19H,3-4,11-15,17-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyNZISECYCXTWWAQ-UHFFFAOYSA-N
XLogP4.20
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
CID 91903691
4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 71784917
4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913328
4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 69384138
N-(3,5-difluorophenyl)-4-[2-[(2-methoxyacetyl)amino]ethyl]piperidine-1-carboxamide
CID 91913317
N-(3,4-dimethoxyphenyl)-7-[(4-fluorophenyl)methoxymethyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 50837601
N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903542
4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 69461979
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 3571668
5-[1-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376472
4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057634
N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903674

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide (CID 58756740) is N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(CCCNC(=O)COCc3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide?
The InChIKey is NZISECYCXTWWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O5/c1-33-23-10-9-22(16-24(23)34-2)29-26(32)30-14-11-19(12-15-30)4-3-13-28-25(31)18-35-17-20-5-7-21(27)8-6-20/h5-10,16,19H,3-4,11-15,17-18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide is sourced from PubChem (CID 58756740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).