N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide

C25H24F3N3O2 — CID 12942336

IUPACN-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)21-7-3-6-20(15-21)23(32)30-24(33)29-22-10-12-31(13-11-22)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15,22H,10-13,16H2,(H2,29,30,32,33)
InChIKeySWSAYPIRSHRZIP-UHFFFAOYSA-N
MW455.48 g/mol
LogP4.96
Rot. Bonds4

About N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide

N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide (PubChem CID 12942336) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide
PubChem CID12942336
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC NameN-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)21-7-3-6-20(15-21)23(32)30-24(33)29-22-10-12-31(13-11-22)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15,22H,10-13,16H2,(H2,29,30,32,33)
InChIKeySWSAYPIRSHRZIP-UHFFFAOYSA-N
XLogP4.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)naphthalene;N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]benzamide
CID 159218719
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 142763739
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 167874854
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 24954046
2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 55946647

Frequently Asked Questions

What is the IUPAC name of N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide (CID 12942336) is N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide is O=C(NC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SWSAYPIRSHRZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c26-25(27,28)21-7-3-6-20(15-21)23(32)30-24(33)29-22-10-12-31(13-11-22)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15,22H,10-13,16H2,(H2,29,30,32,33).
What are the key properties of N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide?
N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide has a molecular weight of 455.48 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 12942336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).