N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide

C19H22F2N4O2 — CID 91915754

IUPACN-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCc1noc([C@H]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2NC(=O)C2CC2)n1
InChIInChI=1S/C19H22F2N4O2/c1-11-22-19(27-24-11)16-4-5-25(9-12-6-14(20)8-15(21)7-12)10-17(16)23-18(26)13-2-3-13/h6-8,13,16-17H,2-5,9-10H2,1H3,(H,23,26)/t16-,17+/m0/s1
InChIKeyOVOXCSFCLRVQEE-DLBZAZTESA-N
MW376.41 g/mol
LogP2.54
Rot. Bonds5

About N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide

N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 91915754) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID91915754
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCc1noc([C@H]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2NC(=O)C2CC2)n1
InChIInChI=1S/C19H22F2N4O2/c1-11-22-19(27-24-11)16-4-5-25(9-12-6-14(20)8-15(21)7-12)10-17(16)23-18(26)13-2-3-13/h6-8,13,16-17H,2-5,9-10H2,1H3,(H,23,26)/t16-,17+/m0/s1
InChIKeyOVOXCSFCLRVQEE-DLBZAZTESA-N
XLogP2.54
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide (CID 91915754) is N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide is Cc1noc([C@H]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2NC(=O)C2CC2)n1.
What is the InChIKey of N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is OVOXCSFCLRVQEE-DLBZAZTESA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-11-22-19(27-24-11)16-4-5-25(9-12-6-14(20)8-15(21)7-12)10-17(16)23-18(26)13-2-3-13/h6-8,13,16-17H,2-5,9-10H2,1H3,(H,23,26)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91915754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).