(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C19H27F3N4O — CID 124686664

IUPAC(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CCC(N)CC1
InChIInChI=1S/C19H27F3N4O/c1-25(15-8-6-14(23)7-9-15)18(27)13-4-3-11-26(12-13)17-16(19(20,21)22)5-2-10-24-17/h2,5,10,13-15H,3-4,6-9,11-12,23H2,1H3/t13-,14?,15?/m1/s1
InChIKeyFTFMPTLKMDIXOM-WLYUNCDWSA-N
MW384.45 g/mol
LogP3.05
Rot. Bonds3

About (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 124686664) has the molecular formula C19H27F3N4O and a molecular weight of 384.45 g/mol. Its IUPAC name is (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID124686664
Molecular FormulaC19H27F3N4O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC Name(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CCC(N)CC1
InChIInChI=1S/C19H27F3N4O/c1-25(15-8-6-14(23)7-9-15)18(27)13-4-3-11-26(12-13)17-16(19(20,21)22)5-2-10-24-17/h2,5,10,13-15H,3-4,6-9,11-12,23H2,1H3/t13-,14?,15?/m1/s1
InChIKeyFTFMPTLKMDIXOM-WLYUNCDWSA-N
XLogP3.05
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride
CID 120820185
N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55758731
2-[2-methoxyethyl-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]acetic acid
CID 125151867
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 55999687
N-[2-(N-methylanilino)ethyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55713142
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 46472494
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 55998612
(3S)-N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 100700324
N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 119036191

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 124686664) is (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is CN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CCC(N)CC1.
What is the InChIKey of (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is FTFMPTLKMDIXOM-WLYUNCDWSA-N. The full InChI is InChI=1S/C19H27F3N4O/c1-25(15-8-6-14(23)7-9-15)18(27)13-4-3-11-26(12-13)17-16(19(20,21)22)5-2-10-24-17/h2,5,10,13-15H,3-4,6-9,11-12,23H2,1H3/t13-,14?,15?/m1/s1.
What are the key properties of (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 124686664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).