1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid

C15H23F3N2O3 — CID 122016138

IUPAC1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)9-11-3-1-2-4-12(11)19-14(23)20-7-5-10(6-8-20)13(21)22/h10-12H,1-9H2,(H,19,23)(H,21,22)/t11-,12-/m0/s1
InChIKeyBZAQRMVBLRGTMK-RYUDHWBXSA-N
MW336.35 g/mol
LogP3.00
Rot. Bonds3

About 1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid

1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122016138) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122016138
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)9-11-3-1-2-4-12(11)19-14(23)20-7-5-10(6-8-20)13(21)22/h10-12H,1-9H2,(H,19,23)(H,21,22)/t11-,12-/m0/s1
InChIKeyBZAQRMVBLRGTMK-RYUDHWBXSA-N
XLogP3.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012285
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015640
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016519
N-[2-(aminomethyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79162307
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122017364
1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822
N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 124620728
N-[2-(hydroxymethyl)cyclohexyl]morpholine-4-carboxamide
CID 103721884
N-[2-(hydroxymethyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
CID 106360522
2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815387

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid (CID 122016138) is 1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)CC1.
What is the InChIKey of 1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BZAQRMVBLRGTMK-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c16-15(17,18)9-11-3-1-2-4-12(11)19-14(23)20-7-5-10(6-8-20)13(21)22/h10-12H,1-9H2,(H,19,23)(H,21,22)/t11-,12-/m0/s1.
What are the key properties of 1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122016138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).