[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone

C19H19F2N5O — CID 95554467

IUPAC[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2nnnn2c1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H19F2N5O/c20-16-7-5-13(10-17(16)21)3-4-14-2-1-9-25(11-14)19(27)15-6-8-18-22-23-24-26(18)12-15/h5-8,10,12,14H,1-4,9,11H2/t14-/m1/s1
InChIKeyVOEUOFCUZWYCQQ-CQSZACIVSA-N
MW371.39 g/mol
LogP2.89
Rot. Bonds4

About [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone

[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 95554467) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID95554467
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2nnnn2c1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H19F2N5O/c20-16-7-5-13(10-17(16)21)3-4-14-2-1-9-25(11-14)19(27)15-6-8-18-22-23-24-26(18)12-15/h5-8,10,12,14H,1-4,9,11H2/t14-/m1/s1
InChIKeyVOEUOFCUZWYCQQ-CQSZACIVSA-N
XLogP2.89
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone
CID 42191853
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 95553493
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 42298601
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25455738
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 45230163
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 95545441
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56870699
5-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 95502942
5-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95476499
4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 131918433
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]pent-4-en-1-one
CID 45226907
1-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 95554785

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone (CID 95554467) is [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone is O=C(c1ccc2nnnn2c1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1.
What is the InChIKey of [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is VOEUOFCUZWYCQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19F2N5O/c20-16-7-5-13(10-17(16)21)3-4-14-2-1-9-25(11-14)19(27)15-6-8-18-22-23-24-26(18)12-15/h5-8,10,12,14H,1-4,9,11H2/t14-/m1/s1.
What are the key properties of [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 371.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 95554467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).