N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C16H21F4N3O2 — CID 125155616

IUPACN-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)N[C@@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C16H21F4N3O2/c17-15(18)16(19,20)11-25-10-14(24)22-13-4-2-6-23(9-13)8-12-3-1-5-21-7-12/h1,3,5,7,13,15H,2,4,6,8-11H2,(H,22,24)/t13-/m1/s1
InChIKeyGFSNCHMGKWLOHE-CYBMUJFWSA-N
MW363.36 g/mol
LogP2.08
Rot. Bonds8

About N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 125155616) has the molecular formula C16H21F4N3O2 and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID125155616
Molecular FormulaC16H21F4N3O2
Molecular Weight363.36 g/mol
Exact Mass363.16
IUPAC NameN-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)N[C@@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C16H21F4N3O2/c17-15(18)16(19,20)11-25-10-14(24)22-13-4-2-6-23(9-13)8-12-3-1-5-21-7-12/h1,3,5,7,13,15H,2,4,6,8-11H2,(H,22,24)/t13-/m1/s1
InChIKeyGFSNCHMGKWLOHE-CYBMUJFWSA-N
XLogP2.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 118778594
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125173875
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300
2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 91831148
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 125442193
6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 124855297
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 125155616) is N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is O=C(COCC(F)(F)C(F)F)N[C@@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is GFSNCHMGKWLOHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21F4N3O2/c17-15(18)16(19,20)11-25-10-14(24)22-13-4-2-6-23(9-13)8-12-3-1-5-21-7-12/h1,3,5,7,13,15H,2,4,6,8-11H2,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 363.36 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 125155616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).