4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

C14H17F3N4O3 — CID 68663139

IUPAC4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESNCC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H17F3N4O3/c15-14(16,17)10-2-1-9(7-19-10)20-11(22)13(8-18)3-5-21(6-4-13)12(23)24/h1-2,7H,3-6,8,18H2,(H,20,22)(H,23,24)
InChIKeyPNXDQPFOYBMIDC-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.76
Rot. Bonds3

About 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (PubChem CID 68663139) has the molecular formula C14H17F3N4O3 and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
PubChem CID68663139
Molecular FormulaC14H17F3N4O3
Molecular Weight346.31 g/mol
Exact Mass346.13
IUPAC Name4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESNCC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H17F3N4O3/c15-14(16,17)10-2-1-9(7-19-10)20-11(22)13(8-18)3-5-21(6-4-13)12(23)24/h1-2,7H,3-6,8,18H2,(H,20,22)(H,23,24)
InChIKeyPNXDQPFOYBMIDC-UHFFFAOYSA-N
XLogP1.76
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk-334429
CID 11452311
2,2,3,3-tetrafluoro-N,N'-bis(2-pyridinylmethyl)succinamide
CID 2164897
1-Pyridin-2-ylmethyl-piperidine-4-carboxylic acid butylamide
CID 3151179
(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]butanamide
CID 57392503
1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-[6-(trifluoromethyl)pyridin-3-yl]urea
CID 129267669
US11014912, Example 4
CID 141757255
N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-[6-(trifluoromethyl)pyridin-3-yl]piperidine-4-carboxamide
CID 153682134
(4-Propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)pyridin-3-yl]piperidin-4-yl]methanone
CID 11383530
(3-Methyl-4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone
CID 44216193
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 45210398
8-{[6-(Trifluoromethyl)pyridin-3-YL]methyl}-2,8-diazaspiro[4.5]decan-3-one
CID 50962232
5-oxo-N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51078018

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (CID 68663139) is 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is NCC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is PNXDQPFOYBMIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O3/c15-14(16,17)10-2-1-9(7-19-10)20-11(22)13(8-18)3-5-21(6-4-13)12(23)24/h1-2,7H,3-6,8,18H2,(H,20,22)(H,23,24).
What are the key properties of 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 346.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68663139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).