N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C15H23F3N2O3 — CID 110416791

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)13(23)20-7-3-11(4-8-20)12(22)19-9-14(10-21)5-1-2-6-14/h11,21H,1-10H2,(H,19,22)
InChIKeyBPIPVLVCZOKFNY-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.46
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110416791) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110416791
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)13(23)20-7-3-11(4-8-20)12(22)19-9-14(10-21)5-1-2-6-14/h11,21H,1-10H2,(H,19,22)
InChIKeyBPIPVLVCZOKFNY-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112502367
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110292609
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
1-(2,2-dimethylpropanoyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445850
1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 115701327
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184
N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110402891
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
CID 115362677

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110416791) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCC1(CO)CCCC1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is BPIPVLVCZOKFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c16-15(17,18)13(23)20-7-3-11(4-8-20)12(22)19-9-14(10-21)5-1-2-6-14/h11,21H,1-10H2,(H,19,22).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110416791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).