N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide

C23H27F2N3O3 — CID 91903674

IUPACN-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
SMILESCOc1cccc(CC(=O)NCCC2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)c1
InChIInChI=1S/C23H27F2N3O3/c1-31-21-4-2-3-17(11-21)12-22(29)26-8-5-16-6-9-28(10-7-16)23(30)27-20-14-18(24)13-19(25)15-20/h2-4,11,13-16H,5-10,12H2,1H3,(H,26,29)(H,27,30)
InChIKeyBSYVNBDEULLCCR-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.97
Rot. Bonds7

About N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide

N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide (PubChem CID 91903674) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
PubChem CID91903674
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC NameN-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
SMILESCOc1cccc(CC(=O)NCCC2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)c1
InChIInChI=1S/C23H27F2N3O3/c1-31-21-4-2-3-17(11-21)12-22(29)26-8-5-16-6-9-28(10-7-16)23(30)27-20-14-18(24)13-19(25)15-20/h2-4,11,13-16H,5-10,12H2,1H3,(H,26,29)(H,27,30)
InChIKeyBSYVNBDEULLCCR-UHFFFAOYSA-N
XLogP3.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 46381852
N-(3,5-difluorophenyl)-4-[2-[(2-methoxyacetyl)amino]ethyl]piperidine-1-carboxamide
CID 91913317
N-(3-fluoro-4-methylphenyl)-4-[2-[3-(3-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903719
N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903542
N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903683
N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
CID 91903691
N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903624
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
CID 91913194
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide (CID 91903674) is N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide is COc1cccc(CC(=O)NCCC2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide?
The InChIKey is BSYVNBDEULLCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-31-21-4-2-3-17(11-21)12-22(29)26-8-5-16-6-9-28(10-7-16)23(30)27-20-14-18(24)13-19(25)15-20/h2-4,11,13-16H,5-10,12H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide?
N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91903674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).