[2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid

C16H21F3N4O3 — CID 87283969

IUPAC[2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
SMILESNC(CN(CC=O)C(=O)O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H21F3N4O3/c17-16(18,19)12-1-2-14(21-9-12)22-5-3-11(4-6-22)13(20)10-23(7-8-24)15(25)26/h1-2,8-9,11,13H,3-7,10,20H2,(H,25,26)
InChIKeyVZQNQKYSBZPGKC-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.82
Rot. Bonds6

About [2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid

[2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid (PubChem CID 87283969) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is [2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid.

Molecular Properties

Compound Name[2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
PubChem CID87283969
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC Name[2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
SMILESNC(CN(CC=O)C(=O)O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H21F3N4O3/c17-16(18,19)12-1-2-14(21-9-12)22-5-3-11(4-6-22)13(20)10-23(7-8-24)15(25)26/h1-2,8-9,11,13H,3-7,10,20H2,(H,25,26)
InChIKeyVZQNQKYSBZPGKC-UHFFFAOYSA-N
XLogP1.82
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-amino-2-(1-isoquinolin-3-ylpiperidin-4-yl)ethyl]-(2-oxoethyl)carbamic acid
CID 87284112
[2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
CID 87283516
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
[2-(1-isoquinolin-3-ylpiperidin-4-yl)-2-(methylamino)ethyl]-(2-oxoethyl)carbamic acid
CID 87283756
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2822230
1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 87003728
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The IUPAC name of [2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid (CID 87283969) is [2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid.
What is the SMILES notation for [2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The canonical SMILES for [2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid is NC(CN(CC=O)C(=O)O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The InChIKey is VZQNQKYSBZPGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3/c17-16(18,19)12-1-2-14(21-9-12)22-5-3-11(4-6-22)13(20)10-23(7-8-24)15(25)26/h1-2,8-9,11,13H,3-7,10,20H2,(H,25,26).
What are the key properties of [2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
[2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid has a molecular weight of 374.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid is sourced from PubChem (CID 87283969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).