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

C16H21F3N4O3 — CID 47070407

IUPACethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H21F3N4O3/c1-2-26-15(25)21-10-14(24)22-12-5-7-23(8-6-12)13-4-3-11(9-20-13)16(17,18)19/h3-4,9,12H,2,5-8,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyBLMCHHHKDRFBSI-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.93
Rot. Bonds5

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

ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate (PubChem CID 47070407) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
PubChem CID47070407
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC Nameethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H21F3N4O3/c1-2-26-15(25)21-10-14(24)22-12-5-7-23(8-6-12)13-4-3-11(9-20-13)16(17,18)19/h3-4,9,12H,2,5-8,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyBLMCHHHKDRFBSI-UHFFFAOYSA-N
XLogP1.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate with MolForge

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Related Compounds

benzyl N-[2-oxo-2-[[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]ethyl]carbamate
CID 99874839
2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
2-(1-adamantyl)-N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]acetamide
CID 55708326
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655
2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 46465883
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 46475209
(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 68573795
1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119843831
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
2-[(2-chlorophenyl)methoxy]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55777562

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate (CID 47070407) is ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate is CCOC(=O)NCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate?
The InChIKey is BLMCHHHKDRFBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3/c1-2-26-15(25)21-10-14(24)22-12-5-7-23(8-6-12)13-4-3-11(9-20-13)16(17,18)19/h3-4,9,12H,2,5-8,10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate?
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate has a molecular weight of 374.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate is sourced from PubChem (CID 47070407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).