4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

C15H24F3N3O2 — CID 94050688

IUPAC4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
SMILESNC(=O)CC1CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C15H24F3N3O2/c16-15(17,18)11-2-1-3-12(9-11)20-14(23)21-6-4-10(5-7-21)8-13(19)22/h10-12H,1-9H2,(H2,19,22)(H,20,23)/t11-,12-/m0/s1
InChIKeyZZHSCZQRXAZQQG-RYUDHWBXSA-N
MW335.37 g/mol
LogP2.40
Rot. Bonds3

About 4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide (PubChem CID 94050688) has the molecular formula C15H24F3N3O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
PubChem CID94050688
Molecular FormulaC15H24F3N3O2
Molecular Weight335.37 g/mol
Exact Mass335.18
IUPAC Name4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
SMILESNC(=O)CC1CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C15H24F3N3O2/c16-15(17,18)11-2-1-3-12(9-11)20-14(23)21-6-4-10(5-7-21)8-13(19)22/h10-12H,1-9H2,(H2,19,22)(H,20,23)/t11-,12-/m0/s1
InChIKeyZZHSCZQRXAZQQG-RYUDHWBXSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-2-oxoethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 86811914
4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
CID 86927593
2-(4-aminopiperidin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 79322864
2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]acetamide
CID 64759422
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 113250164
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 97095074
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 62852011
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467
4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
CID 55922858
(1S,2S,3R)-2,3-dimethyl-1-oxo-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1,4-thiazinane-4-carboxamide
CID 129432123
4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
CID 55590102

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide (CID 94050688) is 4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide is NC(=O)CC1CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The InChIKey is ZZHSCZQRXAZQQG-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24F3N3O2/c16-15(17,18)11-2-1-3-12(9-11)20-14(23)21-6-4-10(5-7-21)8-13(19)22/h10-12H,1-9H2,(H2,19,22)(H,20,23)/t11-,12-/m0/s1.
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 94050688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).