N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide

C14H21F3N2O2 — CID 108932892

IUPACN-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(C1CCCC1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c15-14(16,17)13(21)18-9-10-5-7-19(8-6-10)12(20)11-3-1-2-4-11/h10-11H,1-9H2,(H,18,21)
InChIKeyULQIHRMOCOIPPT-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.09
Rot. Bonds3

About N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide

N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 108932892) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID108932892
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC NameN-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(C1CCCC1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c15-14(16,17)13(21)18-9-10-5-7-19(8-6-10)12(20)11-3-1-2-4-11/h10-11H,1-9H2,(H,18,21)
InChIKeyULQIHRMOCOIPPT-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]acetamide
CID 108922247
N-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131902694
tert-butyl N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919505
1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110364785
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108932472
tert-butyl N-[3-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919227
2,2,2-trifluoro-N-(thian-4-ylmethyl)acetamide
CID 115625197
[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone
CID 134166280
2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 108932663
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 118796064
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide (CID 108932892) is N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide is O=C(C1CCCC1)N1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is ULQIHRMOCOIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c15-14(16,17)13(21)18-9-10-5-7-19(8-6-10)12(20)11-3-1-2-4-11/h10-11H,1-9H2,(H,18,21).
What are the key properties of N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 306.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108932892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).