[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid

C9H13F3N2O3 — CID 118916118

IUPAC[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-7(15)14-3-1-6(2-4-14)13-8(16)17/h6,13H,1-5H2,(H,16,17)
InChIKeyCXRXCUZNMZYNJU-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.20
Rot. Bonds2

About [1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid

[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid (PubChem CID 118916118) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid
PubChem CID118916118
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-7(15)14-3-1-6(2-4-14)13-8(16)17/h6,13H,1-5H2,(H,16,17)
InChIKeyCXRXCUZNMZYNJU-UHFFFAOYSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-(1-acetylpiperidin-4-yl)carbamate
CID 52908156
Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802
2,2,2-trifluoro-N-(piperidin-4-yl)acetamide; trifluoroacetic acid
CID 14774639
3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide
CID 51079646
N-(1-acetylpiperidin-4-yl)-2,2,3,3,3-pentafluoropropanamide
CID 108094454
N-(1-ethylpiperidin-4-yl)-2,2,3,3,3-pentafluoropropanamide
CID 108095096
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 171561105
1-(4-Aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]carbamic acid
CID 18425492
4-(Aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 18449285
N-ethyl-2,2,2-trifluoro-N-piperidin-4-ylacetamide
CID 19421916

Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid (CID 118916118) is [1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of [1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid?
The InChIKey is CXRXCUZNMZYNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)5-7(15)14-3-1-6(2-4-14)13-8(16)17/h6,13H,1-5H2,(H,16,17).
What are the key properties of [1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid?
[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid has a molecular weight of 254.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 118916118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).