(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate

C15H19F3N4O3 — CID 68573795

IUPAC(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
SMILESNC(=O)COC(=O)NCC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H19F3N4O3/c16-15(17,18)11-1-2-13(20-8-11)22-5-3-10(4-6-22)7-21-14(24)25-9-12(19)23/h1-2,8,10H,3-7,9H2,(H2,19,23)(H,21,24)
InChIKeyHASAWKYLZBEAHF-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.53
Rot. Bonds5

About (2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate

(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate (PubChem CID 68573795) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
PubChem CID68573795
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Name(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
SMILESNC(=O)COC(=O)NCC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H19F3N4O3/c16-15(17,18)11-1-2-13(20-8-11)22-5-3-10(4-6-22)7-21-14(24)25-9-12(19)23/h1-2,8,10H,3-7,9H2,(H2,19,23)(H,21,24)
InChIKeyHASAWKYLZBEAHF-UHFFFAOYSA-N
XLogP1.53
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68573821
(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68574049
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 68574069
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
N-(cyclohexylmethyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 46615203
(2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate
CID 68575186
2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate (CID 68573795) is (2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate is NC(=O)COC(=O)NCC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is HASAWKYLZBEAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c16-15(17,18)11-1-2-13(20-8-11)22-5-3-10(4-6-22)7-21-14(24)25-9-12(19)23/h1-2,8,10H,3-7,9H2,(H2,19,23)(H,21,24).
What are the key properties of (2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 360.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 68573795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).